General Information of the Compound
| Compound ID |
CP0714083
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| Compound Name |
1-(5-(4-(4-Ethylpiperazin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCN1CCN(c2ccc(C3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)cc2)CC1
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| InChI |
InChI=1S/C25H32N4O3/c1-5-27-12-14-28(15-13-27)21-9-6-19(7-10-21)23-17-22(26-29(23)18(2)30)20-8-11-24(31-3)25(16-20)32-4/h6-11,16,23H,5,12-15,17H2,1-4H3
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| InChIKey |
XMSNTYCPGOOWCF-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