General Information of the Compound
| Compound ID |
CP0303623
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(4-methylpyridin-3-yl)-17-prop-1-ynyl-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 |
C28H32N2O3
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| Molecular Weight |
444.575
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@@H](O)C[C@]12C)C(=O)Nc1cnccc1C
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| InChI |
InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-16-29-13-10-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
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| InChIKey |
COZNWPKBXQLCIT-FQMQIHGHSA-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