General Information of the Compound
| Compound ID |
CP0575358
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| Compound Name |
2,3-diphenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
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| Structure |
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| Formula |
C19H19N3
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| Molecular Weight |
289.382
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| Canonical SMILES |
C1Cc2nn(c(c2CCN1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C19H19N3/c1-3-7-15(8-4-1)19-17-11-13-20-14-12-18(17)21-22(19)16-9-5-2-6-10-16/h1-10,20H,11-14H2
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| InChIKey |
MXOUMFAGXNVEAJ-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