General Information of the Compound
| Compound ID |
CP0473206
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-naphthalen-1-ylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H27Cl2N3O3
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| Molecular Weight |
572.492
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1cccc2ccccc12)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C32H27Cl2N3O3/c1-19-30(24-16-25(33)18-26(34)17-24)36-37(31(19)28-9-5-7-22-6-3-4-8-27(22)28)20(2)21-10-12-23(13-11-21)32(40)35-15-14-29(38)39/h3-13,16-18,20H,14-15H2,1-2H3,(H,35,40)(H,38,39)
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| InChIKey |
YBCSJJDLLSGXAB-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