General Information of the Compound
| Compound ID |
CP0559085
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| Compound Name |
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
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| Structure |
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| Formula |
C18H24N6
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| Molecular Weight |
324.432
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| Canonical SMILES |
Cc1ccc2nc(CNCc3nnc4CCCCCn34)[nH]c2c1C
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| InChI |
InChI=1S/C18H24N6/c1-12-7-8-14-18(13(12)2)21-15(20-14)10-19-11-17-23-22-16-6-4-3-5-9-24(16)17/h7-8,19H,3-6,9-11H2,1-2H3,(H,20,21)
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| InChIKey |
JZGRYBCYPQMGFQ-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