General Information of the Compound
| Compound ID |
CP0558523
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| Compound Name |
(3,5-dichlorophenyl)methyl N-[3-[[(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]propyl]carbamate
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| Structure |
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| Formula |
C35H52Cl2N2O5
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| Molecular Weight |
651.716
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| Canonical SMILES |
C[C@H](CCC(=O)NCCCNC(=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/C35H52Cl2N2O5/c1-21(5-8-31(42)38-13-4-14-39-33(43)44-20-22-15-24(36)19-25(37)16-22)27-6-7-28-32-29(10-12-35(27,28)3)34(2)11-9-26(40)17-23(34)18-30(32)41/h15-16,19,21,23,26-30,32,40-41H,4-14,17-18,20H2,1-3H3,(H,38,42)(H,39,43)/t21-,23+,26-,27-,28+,29+,30+,32+,34+,35-/m1/s1
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| InChIKey |
UUOQGZPNUGPHTJ-WSAKDWFLSA-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