General Information of the Compound
| Compound ID |
CP0507826
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| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzamido)phenyl)propanoic acid
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| Structure |
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| Formula |
C33H27Cl2N3O7
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| Molecular Weight |
648.499
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C33H27Cl2N3O7/c34-23-10-6-11-24(35)27(23)30(39)36-21-15-13-19(14-16-21)17-26(33(42)43)38-32(41)29-28(44-18-45-29)31(40)37-25-12-5-4-9-22(25)20-7-2-1-3-8-20/h1-16,26,28-29H,17-18H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t26-,28+,29+/m0/s1
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| InChIKey |
GKVFPAULNAWNJX-WIIGKZCBSA-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