General Information of the Compound
| Compound ID |
CP0381925
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| Compound Name |
3-benzyl-N-(cyclopropylmethyl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
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| Structure |
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| Formula |
C20H25N3
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| Molecular Weight |
307.441
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| Canonical SMILES |
C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
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| InChI |
InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)
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| InChIKey |
NQNVGKYHUCXTAC-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