General Information of the Compound
| Compound ID |
CP0435842
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| Compound Name |
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]-4-methylpiperidine
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| Structure |
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| Formula |
C17H21Cl2N3O
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| Molecular Weight |
354.281
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| Canonical SMILES |
CC1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C17H21Cl2N3O/c1-13-4-7-21(8-5-13)10-11-23-17-6-9-22(20-17)14-2-3-15(18)16(19)12-14/h2-3,6,9,12-13H,4-5,7-8,10-11H2,1H3
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| InChIKey |
WHPYENGTZBLIKQ-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