General Information of the Compound
| Compound ID |
CP0551866
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| Compound Name |
5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
CC#CCn1c(nnc1C(=O)NCc1nc(C)cc2ccccc12)N1CCCC(N)C1
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| InChI |
InChI=1S/C23H27N7O/c1-3-4-12-30-21(27-28-23(30)29-11-7-9-18(24)15-29)22(31)25-14-20-19-10-6-5-8-17(19)13-16(2)26-20/h5-6,8,10,13,18H,7,9,11-12,14-15,24H2,1-2H3,(H,25,31)
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| InChIKey |
DQACYJHUZNCJLX-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