General Information of the Compound
| Compound ID |
CP0954620
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| Compound Name |
N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-5-ethyl-2-thiophenecarboxamide
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| Structure |
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| Formula |
C20H22ClFN4OS
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| Molecular Weight |
420.941
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| Canonical SMILES |
CCc1sc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C
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| InChI |
InChI=1S/C20H22ClFN4OS/c1-3-17-15(19-16(21)11-24-26(19)2)9-18(28-17)20(27)25-14(10-23)8-12-5-4-6-13(22)7-12/h4-7,9,11,14H,3,8,10,23H2,1-2H3,(H,25,27)/t14-/m0/s1
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| InChIKey |
KQHQBDFPSAGKRW-AWEZNQCLSA-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