General Information of the Compound
| Compound ID |
CP0402910
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H27Cl2N3O3
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| Molecular Weight |
596.514
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1ccc(cc1)-c1ccccc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C34H27Cl2N3O3/c35-27-17-26(18-28(36)19-27)30-20-32(23-8-6-22(7-9-23)21-4-2-1-3-5-21)39(38-30)31-13-11-24-16-25(10-12-29(24)31)34(42)37-15-14-33(40)41/h1-10,12,16-20,31H,11,13-15H2,(H,37,42)(H,40,41)
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| InChIKey |
JSRRLYRPMGPUNO-UHFFFAOYSA-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