General Information of the Compound
| Compound ID |
CP0256480
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| Compound Name |
2-cyclopropyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
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| Structure |
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| Formula |
C16H18FN3
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| Molecular Weight |
271.339
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| Canonical SMILES |
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CC1
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| InChI |
InChI=1S/C16H18FN3/c17-12-3-1-11(2-4-12)16-14-7-9-18-10-8-15(14)19-20(16)13-5-6-13/h1-4,13,18H,5-10H2
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| InChIKey |
QAVQAAZMSXUAOW-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