General Information of the Compound
| Compound ID |
CP0494098
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| Compound Name |
1-[(5-chloro-2-methoxyphenyl)methyl]-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)pyrazole-3-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)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(Cc3cc(Cl)ccc3OC)n2)cc1
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| InChI |
InChI=1S/C28H30ClN5O4S/c1-16-24(39-27(30-16)32-26(36)28(2,3)4)22-14-21(25(35)31-19-8-10-20(37-5)11-9-19)33-34(22)15-17-13-18(29)7-12-23(17)38-6/h7-14H,15H2,1-6H3,(H,31,35)(H,30,32,36)
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| InChIKey |
XFVIVPVOVWFIKG-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