Mrv0541 02231215192D 63 68 0 0 1 0 999 V2000 12.7360 -9.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7325 -10.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0240 -10.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0248 -11.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2981 -10.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5922 -9.1544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3003 -9.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0192 -9.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5990 -8.3311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3137 -7.9232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0362 -6.6998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3220 -7.1013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7462 -7.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7370 -7.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4575 -6.7169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1639 -7.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5659 -7.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 -7.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8729 -6.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8526 -8.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4334 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1305 -9.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8380 -9.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6063 -12.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 -9.5629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8691 -10.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1564 -10.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1507 -11.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5747 -11.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5804 -10.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5695 -12.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2752 -8.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 -9.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 -9.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8697 -8.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0446 -5.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4669 -5.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8836 -7.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 -6.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 -7.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4472 -7.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1646 -6.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4396 -8.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0117 -8.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 -7.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1443 -7.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1657 -10.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4460 -10.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 -11.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8881 -10.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 -10.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3213 -10.7578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3369 -11.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0635 -11.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7701 -11.5541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7544 -10.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0320 -10.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4925 -11.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6002 -12.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4122 -12.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8140 -12.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2489 -11.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 -8.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 29 1 0 0 0 0 29 4 1 0 0 0 0 4 3 1 0 0 0 0 29 31 1 6 0 0 0 3 2 1 0 0 0 0 17 32 1 0 0 0 0 30 5 1 0 0 0 0 25 33 1 6 0 0 0 13 14 1 6 0 0 0 33 34 1 0 0 0 0 16 15 1 0 0 0 0 6 35 1 6 0 0 0 12 39 1 6 0 0 0 15 13 1 0 0 0 0 11 36 1 6 0 0 0 5 7 1 0 0 0 0 15 37 1 1 0 0 0 6 25 1 0 0 0 0 9 38 1 1 0 0 0 1 2 2 0 0 0 0 2 48 1 0 0 0 0 38 40 1 0 0 0 0 20 17 1 0 0 0 0 40 41 1 0 0 0 0 17 18 2 0 0 0 0 40 42 2 0 0 0 0 18 19 1 0 0 0 0 21 43 1 0 0 0 0 19 16 2 0 0 0 0 8 44 1 0 0 0 0 47 22 1 0 0 0 0 10 45 1 1 0 0 0 21 1 1 0 0 0 0 20 46 2 0 0 0 0 7 8 2 0 0 0 0 10 9 1 0 0 0 0 21 22 2 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 22 23 1 0 0 0 0 47 50 1 0 0 0 0 23 20 1 0 0 0 0 50 51 2 0 0 0 0 9 6 1 0 0 0 0 51 52 1 0 0 0 0 4 24 2 0 0 0 0 1 8 1 0 0 0 0 26 25 1 0 0 0 0 3 5 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 52 1 0 0 0 0 13 11 1 0 0 0 0 55 58 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 58 1 0 0 0 0 29 30 1 0 0 0 0 7 63 1 0 0 0 0 M END > DB01201 > drugbank > CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O > InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 > WDZCUPBHRAEYDL-GZAUEHORSA-N > C47H64N4O12 > 877.0307 > 876.452073532 > 14 > 127 > 0.2877526813216711 > 93.56492453791421 > 0 > 6 > 0 > 0 > (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate > 4.83 > 3.6987988096737143 > -4.61 > 1 > 0 > 6 > 0 > 8.477476749356518 > 6.99356324005494 > 7.880470560665692 > 220.14999999999998 > 241.9960000000001 > 6 > 0 > 2.13e-02 g/l > biotin > 0 > DB01201 > APRD01217 > approved; investigational > Rifapentine > 3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin; Cyclopentylrifampicin; Rifapentin; Rifapentine > Priftin > Rifapentine hydrochloride $$$$