General Information of the Compound
| Compound ID |
CP0075438
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| Compound Name |
4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-cyclobutylbenzamide
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| Structure |
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1
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| InChI |
InChI=1S/C27H26N4O/c28-26-11-5-10-23(29-26)18-31-24(19-6-2-1-3-7-19)16-17-25(31)20-12-14-21(15-13-20)27(32)30-22-8-4-9-22/h1-3,5-7,10-17,22H,4,8-9,18H2,(H2,28,29)(H,30,32)
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| InChIKey |
AQRMTQRMYHBJHU-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