General Information of the Compound
| Compound ID |
CP0516038
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| Compound Name |
4-Benzoyl-1-[2-hydroxy-3-(4-o-tolyl-piperazin-1-yl)-propyl]-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C31H34N4O3
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| Molecular Weight |
510.638
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| Canonical SMILES |
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CN1CCN(CC1)c1ccccc1C
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| InChI |
InChI=1S/C31H34N4O3/c1-23-11-9-10-16-28(23)33-19-17-32(18-20-33)21-27(36)22-34-24(2)29(30(37)25-12-5-3-6-13-25)31(38)35(34)26-14-7-4-8-15-26/h3-16,27,36H,17-22H2,1-2H3
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| InChIKey |
VMAGTGDEAZSKOW-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