General Information of the Compound
| Compound ID |
CP0374141
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| Compound Name |
3-(4-Methoxy-phenyl)-1-phenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
COc1ccc(cc1)-c1nn(c2CCCCCc12)-c1ccccc1
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| InChI |
InChI=1S/C21H22N2O/c1-24-18-14-12-16(13-15-18)21-19-10-6-3-7-11-20(19)23(22-21)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11H2,1H3
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| InChIKey |
PVETUCWAJULHIQ-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