General Information of the Compound
| Compound ID |
CP0447914
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| Compound Name |
1-(3-Butylamino-2-hydroxy-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 |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
CCCCNCC(O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C26H33N3O3/c1-3-4-17-27-18-23(30)19-28-20(2)25(24(31)16-15-21-11-7-5-8-12-21)26(32)29(28)22-13-9-6-10-14-22/h5-14,23,27,30H,3-4,15-19H2,1-2H3
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| InChIKey |
OZEXOCILYLUAHK-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