General Information of the Compound
| Compound ID |
CP0457323
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| Compound Name |
4-Benzoyl-1-(3-diisopropylamino-2-hydroxy-propyl)-2,5-dimethyl-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C21H31N3O3
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| Molecular Weight |
373.497
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| Canonical SMILES |
CC(C)N(CC(O)Cn1c(C)c(C(=O)c2ccccc2)c(=O)n1C)C(C)C
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| InChI |
InChI=1S/C21H31N3O3/c1-14(2)23(15(3)4)12-18(25)13-24-16(5)19(21(27)22(24)6)20(26)17-10-8-7-9-11-17/h7-11,14-15,18,25H,12-13H2,1-6H3
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| InChIKey |
UYZSJNDVHQWHHN-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