General Information of the Compound
| Compound ID |
CP0969753
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| Compound Name |
N-(5-cyano-2-(4-(thiazol-4-yl)methyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C22H22N6O2S
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| Molecular Weight |
434.525
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cscn2)CC1
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| InChI |
InChI=1S/C22H22N6O2S/c1-30-22-18(3-2-6-24-22)21(29)26-19-11-16(12-23)4-5-20(19)28-9-7-27(8-10-28)13-17-14-31-15-25-17/h2-6,11,14-15H,7-10,13H2,1H3,(H,26,29)
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| InChIKey |
FDFHYXFVAZAZSF-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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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