General Information of the Compound
| Compound ID |
CP0455188
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| Compound Name |
(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-4-(2H-tetrazol-5-yl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
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| Structure |
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| Formula |
C25H42N4O2
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| Molecular Weight |
430.637
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| Canonical SMILES |
CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCc4nn[nH]n4)[C@@]3(C)CC[C@H]21
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| InChI |
InChI=1S/C25H42N4O2/c1-15(5-8-22-26-28-29-27-22)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(31-4)13-16(24)14-21(23)30/h15-21,23,30H,5-14H2,1-4H3,(H,26,27,28,29)/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
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| InChIKey |
RVYJCLOWUBLCGZ-IFJDUOSNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound