General Information of the Compound
| Compound ID |
CP0478521
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| Compound Name |
4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-N-(2-piperidin-1-ylethyl)benzamide
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| Structure |
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| Formula |
C27H25N7O
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| Molecular Weight |
463.545
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| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(cc2)C(=O)NCCN2CCCCC2)c(C#N)c2nc3ccccc3n12
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| InChI |
InChI=1S/C27H25N7O/c28-16-20-24(21(17-29)26-32-22-6-2-3-7-23(22)34(26)25(20)30)18-8-10-19(11-9-18)27(35)31-12-15-33-13-4-1-5-14-33/h2-3,6-11H,1,4-5,12-15,30H2,(H,31,35)
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| InChIKey |
RXMWRRBBCRMPNH-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