General Information of the Compound
| Compound ID |
CP0515900
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| Compound Name |
8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(pyrrolidin-1-yl)octan-1-one
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| Structure |
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| Formula |
C31H51NO3
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| Molecular Weight |
485.753
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCC1)C[C@H]1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C31H51NO3/c1-30-16-14-24(33)21-23(30)20-22(29-25-12-13-27(34)31(25,2)17-15-26(29)30)10-6-4-3-5-7-11-28(35)32-18-8-9-19-32/h22-23,25-27,29,34H,3-21H2,1-2H3/t22?,23-,25-,26-,27-,29-,30-,31-/m0/s1
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| InChIKey |
KTRPZVZGJVLJJL-CASJYSRLSA-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