General Information of the Compound
| Compound ID |
CP0506090
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| Compound Name |
3-[4-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]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 |
Cc1nc(sc1C(=O)NCC1CCN(CC1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H24ClN3O3S/c1-15-21(32-23(27-15)17-5-7-19(25)8-6-17)22(29)26-14-16-9-11-28(12-10-16)20-4-2-3-18(13-20)24(30)31/h2-8,13,16H,9-12,14H2,1H3,(H,26,29)(H,30,31)
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| InChIKey |
PTXNIWKLGORJLU-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