General Information of the Compound
| Compound ID |
CP0864364
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| Compound Name |
N-((1S)-2-amino-1-{[3-(trifluoromethyl)phenyl]methyl}ethyl)-4-(4-bromo-1-methyl-1H-pyrazol-5-yl)-5-chloro-2-thiophenecarboxamide
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| Structure |
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| Formula |
C19H17BrClF3N4OS
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| Molecular Weight |
521.79
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(C(F)(F)F)c2)sc1Cl
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| InChI |
InChI=1S/C19H17BrClF3N4OS/c1-28-16(14(20)9-26-28)13-7-15(30-17(13)21)18(29)27-12(8-25)6-10-3-2-4-11(5-10)19(22,23)24/h2-5,7,9,12H,6,8,25H2,1H3,(H,27,29)/t12-/m0/s1
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| InChIKey |
OIKJJDAXBXJKJM-LBPRGKRZSA-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