General Information of the Compound
| Compound ID |
CP0060079
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-17-prop-1-ynyl-N-pyridin-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 |
C27H30N2O3
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| Molecular Weight |
430.548
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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)Nc1cccnc1
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| InChI |
InChI=1S/C27H30N2O3/c1-3-11-27(32)12-10-22-21-9-6-17-14-18(25(31)29-19-5-4-13-28-16-19)7-8-20(17)24(21)23(30)15-26(22,27)2/h4-5,7-8,13-14,16,21-24,30,32H,6,9-10,12,15H2,1-2H3,(H,29,31)/t21-,22-,23-,24+,26-,27-/m0/s1
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| InChIKey |
JVWNOGCJXBHUQZ-YNHSGCSHSA-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