General Information of the Compound
| Compound ID |
CP0517644
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-(3-methylphenyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H27Cl2N3O3
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| Molecular Weight |
536.459
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1cccc(C)c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C29H27Cl2N3O3/c1-17-5-4-6-22(13-17)28-18(2)27(23-14-24(30)16-25(31)15-23)33-34(28)19(3)20-7-9-21(10-8-20)29(37)32-12-11-26(35)36/h4-10,13-16,19H,11-12H2,1-3H3,(H,32,37)(H,35,36)
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| InChIKey |
JCWPJMZUYZYKSV-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