General Information of the Compound
| Compound ID |
CP0267331
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| Compound Name |
2-ethyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
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| Structure |
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| Formula |
C15H19N3
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| Molecular Weight |
241.338
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| Canonical SMILES |
CCn1nc2CCNCCc2c1-c1ccccc1
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| InChI |
InChI=1S/C15H19N3/c1-2-18-15(12-6-4-3-5-7-12)13-8-10-16-11-9-14(13)17-18/h3-7,16H,2,8-11H2,1H3
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| InChIKey |
NIPBXUNGNIREQX-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