General Information of the Compound
| Compound ID |
CP0453171
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| Compound Name |
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
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| Structure |
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| Formula |
C16H20Cl2N4
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| Molecular Weight |
339.27
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1ccc(NCCN2CCCCC2)n1
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| InChI |
InChI=1S/C16H20Cl2N4/c17-14-5-4-13(12-15(14)18)22-10-6-16(20-22)19-7-11-21-8-2-1-3-9-21/h4-6,10,12H,1-3,7-9,11H2,(H,19,20)
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| InChIKey |
YAVDCIMEFGGWAD-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