General Information of the Compound
| Compound ID |
CP0508460
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-N-(2-methylpyridin-3-yl)-17-(2-trimethylsilylethynyl)-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 |
C30H38N2O3Si
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| Molecular Weight |
502.731
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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#C[Si](C)(C)C)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C30H38N2O3Si/c1-19-25(7-6-15-31-19)32-28(34)21-9-10-22-20(17-21)8-11-23-24-12-13-30(35,14-16-36(3,4)5)29(24,2)18-26(33)27(22)23/h6-7,9-10,15,17,23-24,26-27,33,35H,8,11-13,18H2,1-5H3,(H,32,34)/t23-,24-,26-,27+,29-,30+/m0/s1
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| InChIKey |
FLEOABKAHZYTNM-SXRKIBQPSA-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