449144 -OEChem-11231911013D 57 59 0 1 0 0 0 0 0999 V2000 0.8564 -3.3962 0.7083 P 0 0 2 0 0 0 0 0 0 0 0 0 2.7781 -1.3354 1.5554 P 0 0 1 0 0 0 0 0 0 0 0 0 -3.0112 -1.6252 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0382 -1.8404 -2.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 0.8393 -2.5818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 -3.1557 0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 0.1941 -1.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 0.0399 0.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 3.3874 -1.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 0.9481 -0.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 3.8417 -1.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -1.8932 0.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8402 2.0308 0.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6016 -3.9471 -0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -4.2495 1.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -2.3701 1.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -1.1985 3.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 0.6329 0.5572 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 2.6614 1.8316 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 3.3030 3.4267 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7523 -1.4278 -2.3934 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8298 -0.0382 -1.7973 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3956 -2.2759 -1.1803 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4472 -0.3128 -0.4369 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8968 -2.3586 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 2.5063 -1.0031 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2190 1.0844 -1.1515 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2660 2.5977 -1.5882 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2245 0.0378 -0.6436 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3773 1.4763 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 0.4000 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.7929 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 1.2235 2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 2.4269 2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -1.5047 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 0.3825 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 -3.2846 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5424 -0.3194 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -2.8286 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.3725 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 2.8319 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 0.8991 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 2.5508 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 -0.9442 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 -2.7482 -3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 1.6780 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 1.6044 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 1.5010 -1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -0.4845 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 3.1314 -2.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 0.0358 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.0480 2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 3.8670 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6404 -3.3868 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -3.2404 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 3.1489 3.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 4.1374 3.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 17 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 21 1 0 0 0 0 4 45 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 25 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 29 1 0 0 0 0 9 26 1 0 0 0 0 9 50 1 0 0 0 0 10 27 1 0 0 0 0 10 51 1 0 0 0 0 11 28 1 0 0 0 0 11 53 1 0 0 0 0 13 32 2 0 0 0 0 14 54 1 0 0 0 0 16 55 1 0 0 0 0 18 24 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 32 1 0 0 0 0 19 34 2 0 0 0 0 20 34 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 33 2 0 0 0 0 31 49 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 M END > DB03069 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NWSKPSPTJOAICE-OCIMBMBZSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O > InChI=1S/C14H23N3O15P2/c15-7-1-2-17(14(23)16-7)12-10(21)9(20)6(30-12)4-29-33(24,25)32-34(26,27)31-13-11(22)8(19)5(18)3-28-13/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H2,15,16,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1 > NWSKPSPTJOAICE-OCIMBMBZSA-N > C14H23N3O15P2 > 535.291 > 535.060440105 > 14 > 57 > 43.91698395503049 > 0 > 8 > 0 > 0 > {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid > -1.22 > -4.8861202871135285 > -1.38 > 1 > 3 > -2 > 3.1049861560054883 > 1.7037342821942778 > 4.330832082910035 > 280.59 > 102.47249999999995 > 8 > 0 > 2.23e+01 g/l > N-(3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl)-3-(1,3-dioxoisoindol-2-yl)-N-{2-[(5S)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}propanamide > 0 $$$$