General Information of the Compound
| Compound ID |
CP0432068
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-17-hydroxy-11-methoxy-13-methyl-N-(2-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 |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(ccc3[C@@H]12)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C29H34N2O3/c1-5-13-29(33)14-12-23-22-11-8-19-16-20(27(32)31-24-7-6-15-30-18(24)2)9-10-21(19)26(22)25(34-4)17-28(23,29)3/h6-7,9-10,15-16,22-23,25-26,33H,8,11-12,14,17H2,1-4H3,(H,31,32)/t22-,23-,25-,26+,28-,29-/m0/s1
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| InChIKey |
ADBWQEWMJROLFZ-HKTRNRTOSA-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