General Information of the Compound
| Compound ID |
CP0462844
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| Compound Name |
3-[[4-[[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H25Cl2N3O4
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| Molecular Weight |
574.464
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H25Cl2N3O4/c1-40-27-9-8-21-12-23(7-6-22(21)15-27)29-17-28(24-13-25(32)16-26(33)14-24)35-36(29)18-19-2-4-20(5-3-19)31(39)34-11-10-30(37)38/h2-9,12-17H,10-11,18H2,1H3,(H,34,39)(H,37,38)
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| InChIKey |
NMHPWHZUZCXAIV-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