General Information of the Compound
| Compound ID |
CP0258235
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| Compound Name |
3-(4-methylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
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| Structure |
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| Formula |
C17H23N3
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| Molecular Weight |
269.392
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| Canonical SMILES |
CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
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| InChI |
InChI=1S/C17H23N3/c1-12(2)20-17(14-6-4-13(3)5-7-14)15-8-10-18-11-9-16(15)19-20/h4-7,12,18H,8-11H2,1-3H3
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| InChIKey |
OLFYDDVREGSNQJ-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