General Information of the Compound
| Compound ID |
CP0287624
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| Compound Name |
6-amino-N-[1-[(3-ethoxy-4,5-difluorophenyl)methyl]azepan-4-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H26F2N4O2
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| Molecular Weight |
404.461
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| Canonical SMILES |
CCOc1cc(CN2CCCC(CC2)NC(=O)c2ccc(N)nc2)cc(F)c1F
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| InChI |
InChI=1S/C21H26F2N4O2/c1-2-29-18-11-14(10-17(22)20(18)23)13-27-8-3-4-16(7-9-27)26-21(28)15-5-6-19(24)25-12-15/h5-6,10-12,16H,2-4,7-9,13H2,1H3,(H2,24,25)(H,26,28)
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| InChIKey |
OMARKUBVZGBSTE-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