General Information of the Compound
| Compound ID |
CP0528075
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| Compound Name |
4-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(piperazin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCNCC1
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| InChI |
InChI=1S/C22H28N6O/c1-16-4-8-28(9-5-16)21-13-18(27-10-6-24-7-11-27)2-3-19(21)26-22(29)20-12-17(14-23)15-25-20/h2-3,12-13,15-16,24-25H,4-11H2,1H3,(H,26,29)
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| InChIKey |
YPPDZAOVZSJMKT-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