General Information of the Compound
| Compound ID |
CP0524180
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| Compound Name |
1,3-Bis-(4-chloro-phenyl)-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
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| Structure |
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| Formula |
C20H18Cl2N2
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| Molecular Weight |
357.284
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| Canonical SMILES |
Clc1ccc(cc1)-c1nn(c2CCCCCc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H18Cl2N2/c21-15-8-6-14(7-9-15)20-18-4-2-1-3-5-19(18)24(23-20)17-12-10-16(22)11-13-17/h6-13H,1-5H2
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| InChIKey |
XHEZUEUUXQZLJM-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