General Information of the Compound
| Compound ID |
CP0412285
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| Compound Name |
6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C18H21FN4O
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| Molecular Weight |
328.391
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| Canonical SMILES |
NC(=O)c1ccc(nc1)N1CCCN(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C18H21FN4O/c19-16-5-2-14(3-6-16)13-22-8-1-9-23(11-10-22)17-7-4-15(12-21-17)18(20)24/h2-7,12H,1,8-11,13H2,(H2,20,24)
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| InChIKey |
COUMQDLXZDVPQA-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