General Information of the Compound
| Compound ID |
CP0312950
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| Compound Name |
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
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| Structure |
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| Formula |
C14H23N3
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| Molecular Weight |
233.359
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| Canonical SMILES |
CN1CCCN(Cc2ccc(CN)cc2)CC1
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| InChI |
InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
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| InChIKey |
AQLZGQUKWNQYPH-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