General Information of the Compound
| Compound ID |
CP0256478
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| Compound Name |
3-(2,4-dichlorophenyl)-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 |
C16H19Cl2N3
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| Molecular Weight |
324.255
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| Canonical SMILES |
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C16H19Cl2N3/c1-10(2)21-16(12-4-3-11(17)9-14(12)18)13-5-7-19-8-6-15(13)20-21/h3-4,9-10,19H,5-8H2,1-2H3
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| InChIKey |
DIAIETRSPXZRRR-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