General Information of the Compound
| Compound ID |
CP0449556
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| Compound Name |
3-[[4-[1-[5-(2-cyclohexylphenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H33Cl2N3O3
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| Molecular Weight |
590.551
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccccc1C1CCCCC1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H33Cl2N3O3/c1-21(22-11-13-24(14-12-22)33(41)36-16-15-32(39)40)38-31(20-30(37-38)25-17-26(34)19-27(35)18-25)29-10-6-5-9-28(29)23-7-3-2-4-8-23/h5-6,9-14,17-21,23H,2-4,7-8,15-16H2,1H3,(H,36,41)(H,39,40)
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| InChIKey |
CCXJPCNMWZNEFC-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