General Information of the Compound
| Compound ID |
CP0522641
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| Compound Name |
8-(17b-hydroxy-5a-androstan-3-one-7a-yl)octanamide
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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@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C27H45NO3/c1-26-14-12-20(29)17-19(26)16-18(8-6-4-3-5-7-9-24(28)31)25-21-10-11-23(30)27(21,2)15-13-22(25)26/h18-19,21-23,25,30H,3-17H2,1-2H3,(H2,28,31)/t18?,19-,21-,22-,23-,25-,26-,27-/m0/s1
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| InChIKey |
BZLBFBAKHHAXJU-NGQOSGAJSA-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