General Information of the Compound
| Compound ID |
CP0179307
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-17-hex-1-ynyl-11,17-dihydroxy-13-methyl-N-(2-methylpyridin-3-yl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carboxamide
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| Structure |
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| Formula |
C31H38N2O3
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| Molecular Weight |
486.656
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| Canonical SMILES |
CCCCC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@@H](O)C[C@]12C)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C31H38N2O3/c1-4-5-6-7-15-31(36)16-14-25-24-13-10-21-18-22(29(35)33-26-9-8-17-32-20(26)2)11-12-23(21)28(24)27(34)19-30(25,31)3/h8-9,11-12,17-18,24-25,27-28,34,36H,4-6,10,13-14,16,19H2,1-3H3,(H,33,35)/t24-,25-,27-,28+,30-,31-/m0/s1
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| InChIKey |
JWRWPJROUOTULB-HIBPFCMCSA-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