General Information of the Compound
| Compound ID |
CP0353891
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| Compound Name |
2-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
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| Structure |
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| Formula |
C17H20F3N3
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| Molecular Weight |
323.362
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| Canonical SMILES |
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N3/c1-11(2)23-16(14-7-9-21-10-8-15(14)22-23)12-3-5-13(6-4-12)17(18,19)20/h3-6,11,21H,7-10H2,1-2H3
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| InChIKey |
KMWKKNKEWFFTPO-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