General Information of the Compound
| Compound ID |
CP0491799
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| Compound Name |
(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyrrolidin-1-ylbutan-1-one
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| Structure |
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| Formula |
C27H45NO3
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| Molecular Weight |
431.661
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| Canonical SMILES |
C[C@H](CC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H45NO3/c1-17(14-24(31)28-12-4-5-13-28)20-6-7-21-25-22(9-11-27(20,21)3)26(2)10-8-19(29)15-18(26)16-23(25)30/h17-23,25,29-30H,4-16H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,25+,26+,27-/m1/s1
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| InChIKey |
FGJFTYHEMMEBLY-KYNCMJSCSA-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