General Information of the Compound
| Compound ID |
CP0153777
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11-[(2-chlorophenyl)methoxy]-17-hydroxy-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 |
C35H37ClN2O3
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| Molecular Weight |
569.145
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@H](C[C@]12C)OCc1ccccc1Cl)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C35H37ClN2O3/c1-4-16-35(40)17-15-28-27-14-11-23-19-24(33(39)38-30-10-7-18-37-22(30)2)12-13-26(23)32(27)31(20-34(28,35)3)41-21-25-8-5-6-9-29(25)36/h5-10,12-13,18-19,27-28,31-32,40H,11,14-15,17,20-21H2,1-3H3,(H,38,39)/t27-,28-,31-,32+,34-,35-/m0/s1
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| InChIKey |
RGCSQRNHYKNRID-VKIGOHPVSA-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