General Information of the Compound
| Compound ID |
CP0396415
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| Compound Name |
3-benzyl-N-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
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| Structure |
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| Formula |
C19H25N3
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| Molecular Weight |
295.43
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| Canonical SMILES |
CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12
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| InChI |
InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22)
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| InChIKey |
JCCCJTVAZBWBCY-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