General Information of the Compound
| Compound ID |
CP0535426
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C26H27N5O
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| Molecular Weight |
425.536
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| Canonical SMILES |
CC#CCn1c(nc2ccn(Cc3cccc4ccccc34)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C26H27N5O/c1-2-3-15-31-24-23(28-26(31)30-14-7-11-21(27)18-30)13-16-29(25(24)32)17-20-10-6-9-19-8-4-5-12-22(19)20/h4-6,8-10,12-13,16,21H,7,11,14-15,17-18,27H2,1H3
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| InChIKey |
WNINPLMMCUEPMC-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