General Information of the Compound
| Compound ID |
CP0391115
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| Compound Name |
8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(piperidin-1-yl)octan-1-one
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| Structure |
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| Formula |
C32H53NO3
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| Molecular Weight |
499.78
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCCC1)C[C@H]1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C32H53NO3/c1-31-17-15-25(34)22-24(31)21-23(30-26-13-14-28(35)32(26,2)18-16-27(30)31)11-7-4-3-5-8-12-29(36)33-19-9-6-10-20-33/h23-24,26-28,30,35H,3-22H2,1-2H3/t23?,24-,26-,27-,28-,30-,31-,32-/m0/s1
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| InChIKey |
RUEIHLVFKJYLTK-NCCRKMCZSA-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