General Information of the Compound
| Compound ID |
CP0377302
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H25Cl2N3O3
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| Molecular Weight |
534.443
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| Canonical SMILES |
Cc1ccccc1-c1cc(nn1C1CCc2cc(ccc12)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C29H25Cl2N3O3/c1-17-4-2-3-5-23(17)27-16-25(20-13-21(30)15-22(31)14-20)33-34(27)26-9-7-18-12-19(6-8-24(18)26)29(37)32-11-10-28(35)36/h2-6,8,12-16,26H,7,9-11H2,1H3,(H,32,37)(H,35,36)
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| InChIKey |
CCCCVLGHFKSGSZ-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