General Information of the Compound
| Compound ID |
CP0504850
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| Compound Name |
1,3-Diphenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
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| Structure |
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| Formula |
C20H20N2
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| Molecular Weight |
288.394
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| Canonical SMILES |
C1CCc2c(CC1)n(nc2-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C20H20N2/c1-4-10-16(11-5-1)20-18-14-8-3-9-15-19(18)22(21-20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
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| InChIKey |
GIWZTQFUECPCLL-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