General Information of the Compound
| Compound ID |
CP0394225
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| Compound Name |
1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-yl)-(E)-vinyl]-piperidine
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| Structure |
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| Formula |
C23H22Cl3N3
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| Molecular Weight |
446.809
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| Canonical SMILES |
Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+
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| InChIKey |
SPWPIJMSCDUAAC-SDNWHVSQSA-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