General Information of the Compound
| Compound ID |
CP0294181
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(2-methylpyridin-3-yl)-17-(2-phenylethynyl)-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 |
C33H34N2O3
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| Molecular Weight |
506.646
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| Canonical SMILES |
Cc1ncccc1NC(=O)c1ccc2[C@H]3[C@@H](O)C[C@@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C33H34N2O3/c1-21-28(9-6-18-34-21)35-31(37)24-11-12-25-23(19-24)10-13-26-27-15-17-33(38,16-14-22-7-4-3-5-8-22)32(27,2)20-29(36)30(25)26/h3-9,11-12,18-19,26-27,29-30,36,38H,10,13,15,17,20H2,1-2H3,(H,35,37)/t26-,27-,29-,30+,32-,33-/m0/s1
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| InChIKey |
KOCQWYVXBLIRDI-KJOSVMAWSA-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