General Information of the Compound
| Compound ID |
CP0494718
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| Compound Name |
2-(4-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
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| Structure |
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| Formula |
C16H16F3N3O
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| Molecular Weight |
323.318
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| Canonical SMILES |
FC(F)(F)c1ccc(Cn2nc3CCNCCc3cc2=O)cc1
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| InChI |
InChI=1S/C16H16F3N3O/c17-16(18,19)13-3-1-11(2-4-13)10-22-15(23)9-12-5-7-20-8-6-14(12)21-22/h1-4,9,20H,5-8,10H2
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| InChIKey |
FPEAGSCDLAMAGS-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