135565656 -OEChem-09152315433D 72 75 0 1 0 0 0 0 0999 V2000 1.8781 -1.3312 1.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 -2.5020 -0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 -0.1803 0.3954 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -3.6023 -0.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 0.4563 0.4379 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6065 -2.5703 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -1.1382 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5745 -0.0878 0.2832 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4916 -1.3683 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 -3.4804 -1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -3.1260 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 -1.7481 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 1.3148 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 1.4346 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -3.1325 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 -0.8933 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 2.7956 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 1.6117 2.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 1.0320 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1908 1.8473 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 2.0721 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -4.0585 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 2.7967 -1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 2.0125 2.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 0.2606 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 1.4371 0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 3.1371 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 3.3620 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7518 3.8944 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -0.1055 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6572 1.0710 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 0.2998 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0721 -0.0912 -1.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -1.4196 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 -1.1123 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 -0.8687 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -0.2895 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 0.6235 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 -3.4695 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -3.1556 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -4.5211 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1297 -2.5423 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -3.1254 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 -4.1579 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.7499 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 3.0888 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 3.5875 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 2.4093 2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 0.7044 2.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 1.2664 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 1.6796 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -4.2076 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -5.0395 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8107 -3.6626 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 2.6970 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 2.0062 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 3.7526 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 3.0195 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 2.0192 4.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 1.3110 2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 -0.0596 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 2.0549 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5083 3.5515 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 3.9504 -1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0492 4.8984 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 -0.7056 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5578 1.3954 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 -0.1592 -2.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 0.6924 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 -1.3707 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 -1.6718 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -2.2334 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 0 0 0 0 9 12 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 24 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 20 50 1 0 0 0 0 21 28 2 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 30 1 0 0 0 0 25 61 1 0 0 0 0 26 31 2 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 M END > DB18268 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UEEHORXWFOHMHK-XMMPIXPASA-N/SDF?record_type=3d > CCC1=CC=C(C=C1)C(CC)(CC)NC(=O)C1=C2N[C@H](CC(C)(C)N2N=C1C)C1=CC=CC=C1 > InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1 > UEEHORXWFOHMHK-XMMPIXPASA-N > C29H38N4O > 458.65 > 458.30456186 > 3 > 72 > 1.6872192448884697 > 53.93689113712109 > 1 > 2 > 0 > 0 > (5R)-N-[3-(4-ethylphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide > 6.613347869333334 > 1 > 0 > 4 > 0 > 14.000460087556567 > 3.433071626068584 > 58.95 > 151.57109999999994 > 7 > 0 > (5R)-N-[3-(4-ethylphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-4H,5H,6H-pyrazolo[1,5-a]pyrimidine-3-carboxamide > 0 $$$$