General Information of the Compound
| Compound ID |
CP0564473
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| Compound Name |
(8R,9S,13S,14R,15R)-13-methyl-3-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-15-(pyrrolidine-1-carbonyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C31H44N2O3
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| Molecular Weight |
492.704
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| Canonical SMILES |
C[C@H]1CCCN1CCCOc1ccc2[C@H]3CC[C@@]4(C)[C@@H]([C@@H](CC4=O)C(=O)N4CCCC4)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C31H44N2O3/c1-21-7-5-16-32(21)17-6-18-36-23-9-11-24-22(19-23)8-10-26-25(24)12-13-31(2)28(34)20-27(29(26)31)30(35)33-14-3-4-15-33/h9,11,19,21,25-27,29H,3-8,10,12-18,20H2,1-2H3/t21-,25+,26+,27+,29+,31+/m0/s1
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| InChIKey |
IBYVXJKTGRSNJL-KKZGWGMXSA-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