General Information of the Compound
Compound ID |
CP0507841
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Compound Name |
(S)-2-((4R,5R)-5-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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Structure |
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Formula |
C35H36Cl2N4O7
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Molecular Weight |
695.6
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Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O)C(C)(C)C
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InChI |
InChI=1S/C35H36Cl2N4O7/c1-20-8-12-22(13-9-20)41-29(17-28(40-41)35(2,3)4)39-33(43)31-30(47-19-48-31)32(42)38-27(34(44)45)16-21-10-14-23(15-11-21)46-18-24-25(36)6-5-7-26(24)37/h5-15,17,27,30-31H,16,18-19H2,1-4H3,(H,38,42)(H,39,43)(H,44,45)/t27-,30+,31+/m0/s1
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InChIKey |
UNVOKDLQUFKROH-LXLYTFERSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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