General Information of the Compound
| Compound ID |
CP0451203
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| Compound Name |
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
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| Structure |
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| Formula |
C22H22F2N4O
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| Molecular Weight |
396.441
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| Canonical SMILES |
Cn1nccc1-c1ccc(cc1)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H22F2N4O/c1-28-21(9-11-26-28)14-2-4-15(5-3-14)22(29)27-20-13-25-10-8-17(20)16-6-7-18(23)19(24)12-16/h2-7,9,11-12,17,20,25H,8,10,13H2,1H3,(H,27,29)/t17-,20+/m0/s1
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| InChIKey |
WTDXONBSQHCAGP-FXAWDEMLSA-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