General Information of the Compound
| Compound ID |
CP0497906
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| Compound Name |
(3,5-dichlorophenyl)methyl 4-[[[(4R)-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]pentanoyl]amino]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C38H56Cl2N2O5
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| Molecular Weight |
691.781
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| Canonical SMILES |
C[C@H](CCC(=O)NCC1CCN(CC1)C(=O)OCc1cc(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/C38H56Cl2N2O5/c1-23(30-5-6-31-35-32(9-13-38(30,31)3)37(2)12-8-29(43)18-26(37)19-33(35)44)4-7-34(45)41-21-24-10-14-42(15-11-24)36(46)47-22-25-16-27(39)20-28(40)17-25/h16-17,20,23-24,26,29-33,35,43-44H,4-15,18-19,21-22H2,1-3H3,(H,41,45)/t23-,26+,29-,30-,31+,32+,33+,35+,37+,38-/m1/s1
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| InChIKey |
JNBRPMMXYVHVDI-VVKMXWJKSA-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