General Information of the Compound
| Compound ID |
CP0434097
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| Compound Name |
3-benzyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
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| Structure |
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| Formula |
C15H17N3
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| Molecular Weight |
239.322
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| Canonical SMILES |
C(c1ccccc1)c1cc2CCNCCc2nn1
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| InChI |
InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
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| InChIKey |
BOXZVOHYJCFWPI-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