General Information of the Compound
| Compound ID |
CP0488230
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| Compound Name |
3-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
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| Structure |
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| Formula |
C18H23N3
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| Molecular Weight |
281.403
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| Canonical SMILES |
CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12
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| InChI |
InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3
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| InChIKey |
XIAVVRQAPQWNQX-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