General Information of the Compound
| Compound ID |
CP0535393
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| Compound Name |
2-phenyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
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| Structure |
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| Formula |
C14H15N3O
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| Molecular Weight |
241.294
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| Canonical SMILES |
O=c1cc2CCNCCc2nn1-c1ccccc1
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| InChI |
InChI=1S/C14H15N3O/c18-14-10-11-6-8-15-9-7-13(11)16-17(14)12-4-2-1-3-5-12/h1-5,10,15H,6-9H2
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| InChIKey |
UKKZYAYMENMDFZ-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