General Information of the Compound
| Compound ID |
CP0551867
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-cyano-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H26N6O
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| Molecular Weight |
426.524
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| Canonical SMILES |
CC#CCn1c(nc(C#N)c1C(=O)NCc1cccc2ccccc12)N1CCCC(N)C1
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| InChI |
InChI=1S/C25H26N6O/c1-2-3-14-31-23(22(15-26)29-25(31)30-13-7-11-20(27)17-30)24(32)28-16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,20H,7,11,13-14,16-17,27H2,1H3,(H,28,32)
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| InChIKey |
NWOILSZVUJOLQK-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