General Information of the Compound
| Compound ID |
CP0439990
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| Compound Name |
3-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H24ClN3O3S
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| Molecular Weight |
469.994
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| Canonical SMILES |
CN(C1CCCN(C1)c1cccc(c1)C(O)=O)C(=O)c1sc(nc1C)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H24ClN3O3S/c1-15-21(32-22(26-15)16-8-10-18(25)11-9-16)23(29)27(2)20-7-4-12-28(14-20)19-6-3-5-17(13-19)24(30)31/h3,5-6,8-11,13,20H,4,7,12,14H2,1-2H3,(H,30,31)
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| InChIKey |
KHDXEJNMPPSORP-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