General Information of the Compound
| Compound ID |
CP0566655
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| Compound Name |
5-[(5-chloro-2-methoxyphenyl)methyl]-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)pyrazole-1-carboxamide
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| Structure |
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| Formula |
C28H30ClN5O4S
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| Molecular Weight |
568.099
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| Canonical SMILES |
COc1ccc(NC(=O)n2nc(cc2Cc2cc(Cl)ccc2OC)-c2sc(NC(=O)C(C)(C)C)nc2C)cc1
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| InChI |
InChI=1S/C28H30ClN5O4S/c1-16-24(39-26(30-16)32-25(35)28(2,3)4)22-15-20(14-17-13-18(29)7-12-23(17)38-6)34(33-22)27(36)31-19-8-10-21(37-5)11-9-19/h7-13,15H,14H2,1-6H3,(H,31,36)(H,30,32,35)
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| InChIKey |
DUWIJUNYFCPCQF-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