General Information of the Compound
| Compound ID |
CP0435838
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| Compound Name |
1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine
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| Structure |
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| Formula |
C18H24Cl2N4O
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| Molecular Weight |
383.323
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| Canonical SMILES |
CN1CCN(CCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C18H24Cl2N4O/c1-14-12-18(21-24(14)15-4-5-16(19)17(20)13-15)25-11-3-6-23-9-7-22(2)8-10-23/h4-5,12-13H,3,6-11H2,1-2H3
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| InChIKey |
WZRGRJFCSUGMBM-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