General Information of the Compound
| Compound ID |
CP0537243
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| Compound Name |
4-Benzoyl-1-(2-hydroxy-3-propylamino-propyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
CCCNCC(O)Cn1c(C)c(C(=O)c2ccccc2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C23H27N3O3/c1-3-14-24-15-20(27)16-25-17(2)21(22(28)18-10-6-4-7-11-18)23(29)26(25)19-12-8-5-9-13-19/h4-13,20,24,27H,3,14-16H2,1-2H3
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| InChIKey |
ZDTBXQFNLCGHOS-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