General Information of the Compound
| Compound ID |
CP0569662
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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-(2-hydroxyethyl)pyrazole-1-carboxamide
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| Structure |
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| Formula |
C23H28ClN5O4S
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| Molecular Weight |
506.028
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| Canonical SMILES |
COc1ccc(Cl)cc1Cc1cc(nn1C(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
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| InChI |
InChI=1S/C23H28ClN5O4S/c1-13-19(34-21(26-13)27-20(31)23(2,3)4)17-12-16(29(28-17)22(32)25-8-9-30)11-14-10-15(24)6-7-18(14)33-5/h6-7,10,12,30H,8-9,11H2,1-5H3,(H,25,32)(H,26,27,31)
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| InChIKey |
APZZNCAZIAUTLE-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