General Information of the Compound
| Compound ID |
CP0470641
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-(3-phenylphenyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H29Cl2N3O3
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| Molecular Weight |
598.53
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1cccc(c1)-c1ccccc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C34H29Cl2N3O3/c1-21-32(28-18-29(35)20-30(36)19-28)38-39(33(21)27-10-6-9-26(17-27)24-7-4-3-5-8-24)22(2)23-11-13-25(14-12-23)34(42)37-16-15-31(40)41/h3-14,17-20,22H,15-16H2,1-2H3,(H,37,42)(H,40,41)
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| InChIKey |
FKJPDOUATJOANE-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