General Information of the Compound
| Compound ID |
CP0460862
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| Compound Name |
3-(4-Chloro-phenyl)-1-p-tolyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
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| Structure |
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| Formula |
C21H21ClN2
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| Molecular Weight |
336.866
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(c2CCCCCc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21ClN2/c1-15-7-13-18(14-8-15)24-20-6-4-2-3-5-19(20)21(23-24)16-9-11-17(22)12-10-16/h7-14H,2-6H2,1H3
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| InChIKey |
HPZDJXIFUWJBKT-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