General Information of the Compound
| Compound ID |
CP0411237
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-phenylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H25Cl2N3O3
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| Molecular Weight |
522.432
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1ccccc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H25Cl2N3O3/c1-17-26(22-14-23(29)16-24(30)15-22)32-33(27(17)20-6-4-3-5-7-20)18(2)19-8-10-21(11-9-19)28(36)31-13-12-25(34)35/h3-11,14-16,18H,12-13H2,1-2H3,(H,31,36)(H,34,35)
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| InChIKey |
CUSMZOFBLXWTBF-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