General Information of the Compound
| Compound ID |
CP0567130
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| Compound Name |
(4R)-N-[(3,5-dichlorophenyl)methyl]-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
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| Structure |
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| Formula |
C31H45Cl2NO3
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| Molecular Weight |
550.611
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| Canonical SMILES |
C[C@H](CCC(=O)NCc1cc(Cl)cc(Cl)c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C31H45Cl2NO3/c1-18(4-7-28(37)34-17-19-12-21(32)16-22(33)13-19)24-5-6-25-29-26(9-11-31(24,25)3)30(2)10-8-23(35)14-20(30)15-27(29)36/h12-13,16,18,20,23-27,29,35-36H,4-11,14-15,17H2,1-3H3,(H,34,37)/t18-,20+,23-,24-,25+,26+,27+,29+,30+,31-/m1/s1
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| InChIKey |
XABGOCPPRYETHH-MBMYFEABSA-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