General Information of the Compound
Compound ID |
CP0634178
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Compound Name |
3-(Isobutyryl-methyl-amino)-5-(5-methyl-pyridin-2-yl)-N-(1-pyrazin-2-yl-ethyl)-benzamide
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Structure |
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Formula |
C24H27N5O2
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Molecular Weight |
417.513
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Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)nc1
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InChI |
InChI=1S/C24H27N5O2/c1-15(2)24(31)29(5)20-11-18(21-7-6-16(3)13-27-21)10-19(12-20)23(30)28-17(4)22-14-25-8-9-26-22/h6-15,17H,1-5H3,(H,28,30)
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InChIKey |
QCRCCLQMANACRB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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