General Information of the Compound
| Compound ID |
CP0412801
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| Compound Name |
3-[[4-[[3-(3,5-dichlorophenyl)-4-methyl-5-naphthalen-1-ylpyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H25Cl2N3O3
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| Molecular Weight |
558.465
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| Canonical SMILES |
Cc1c(nn(Cc2ccc(cc2)C(=O)NCCC(O)=O)c1-c1cccc2ccccc12)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H25Cl2N3O3/c1-19-29(23-15-24(32)17-25(33)16-23)35-36(30(19)27-8-4-6-21-5-2-3-7-26(21)27)18-20-9-11-22(12-10-20)31(39)34-14-13-28(37)38/h2-12,15-17H,13-14,18H2,1H3,(H,34,39)(H,37,38)
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| InChIKey |
JKZCNWPHJWAAHJ-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