General Information of the Compound
| Compound ID |
CP0507835
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| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C33H28Cl2N2O7
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| Molecular Weight |
635.5
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C33H28Cl2N2O7/c34-25-10-6-11-26(35)24(25)18-42-22-15-13-20(14-16-22)17-28(33(40)41)37-32(39)30-29(43-19-44-30)31(38)36-27-12-5-4-9-23(27)21-7-2-1-3-8-21/h1-16,28-30H,17-19H2,(H,36,38)(H,37,39)(H,40,41)/t28-,29+,30+/m0/s1
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| InChIKey |
WBCOIWFOZDTSAF-FRXPANAUSA-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