General Information of the Compound
| Compound ID |
CP0701539
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| Compound Name |
1-(5-(4-(4-Benzylpiperidin-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 |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
COc1ccc(C2=NN(C(C)=O)C(c3ccc(N4CCC(Cc5ccccc5)CC4)cc3)C2)cc1OC
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| InChI |
InChI=1S/C31H35N3O3/c1-22(35)34-29(21-28(32-34)26-11-14-30(36-2)31(20-26)37-3)25-9-12-27(13-10-25)33-17-15-24(16-18-33)19-23-7-5-4-6-8-23/h4-14,20,24,29H,15-19,21H2,1-3H3
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| InChIKey |
IXJVMRAZMGPUJK-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