General Information of the Compound
| Compound ID |
CP0501908
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| Compound Name |
1-[2-Hydroxy-3-(4-o-tolyl-piperazin-1-yl)-propyl]-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C33H38N4O3
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| Molecular Weight |
538.692
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| Canonical SMILES |
Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CN1CCN(CC1)c1ccccc1C
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| InChI |
InChI=1S/C33H38N4O3/c1-25-11-9-10-16-30(25)35-21-19-34(20-22-35)23-29(38)24-36-26(2)32(31(39)18-17-27-12-5-3-6-13-27)33(40)37(36)28-14-7-4-8-15-28/h3-16,29,38H,17-24H2,1-2H3
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| InChIKey |
FXCZRQUEINPDKX-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