General Information of the Compound
| Compound ID |
CP0864365
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| Compound Name |
N-((1S)-2-amino-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-5-chloro-4-(1,4-dimethyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
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| Structure |
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| Formula |
C20H20ClF3N4OS
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| Molecular Weight |
456.921
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| Canonical SMILES |
Cc1cnn(C)c1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)sc1Cl
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| InChI |
InChI=1S/C20H20ClF3N4OS/c1-11-10-26-28(2)17(11)14-8-16(30-18(14)21)19(29)27-13(9-25)7-12-5-3-4-6-15(12)20(22,23)24/h3-6,8,10,13H,7,9,25H2,1-2H3,(H,27,29)/t13-/m0/s1
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| InChIKey |
QUEGXGJPCZBUSK-ZDUSSCGKSA-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase