General Information of the Compound
| Compound ID |
CP0458034
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
CC#CCn1c(cnc1N1CCCC(N)C1)C(=O)NCc1cccc2ccccc12
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| InChI |
InChI=1S/C24H27N5O/c1-2-3-14-29-22(16-27-24(29)28-13-7-11-20(25)17-28)23(30)26-15-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,16,20H,7,11,13-15,17,25H2,1H3,(H,26,30)
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| InChIKey |
JAEMLZCOZNEBTP-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