General Information of the Compound
| Compound ID |
CP0161570
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| Compound Name |
4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(piperidin-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 |
CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]2)C#N)c(c1)N1CCCCC1
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| InChI |
InChI=1S/C22H28N6O/c1-26-9-11-27(12-10-26)18-5-6-19(21(14-18)28-7-3-2-4-8-28)25-22(29)20-13-17(15-23)16-24-20/h5-6,13-14,16,24H,2-4,7-12H2,1H3,(H,25,29)
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| InChIKey |
NZRFILSWDBFAQV-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