General Information of the Compound
| Compound ID |
CP0422649
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
CC#CCn1c(cnc1N1CCCC(N)C1)C(=O)N(C)Cc1cccc2ccccc12
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| InChI |
InChI=1S/C25H29N5O/c1-3-4-15-30-23(16-27-25(30)29-14-8-12-21(26)18-29)24(31)28(2)17-20-11-7-10-19-9-5-6-13-22(19)20/h5-7,9-11,13,16,21H,8,12,14-15,17-18,26H2,1-2H3
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| InChIKey |
PCTLTKYZJGDNFD-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