General Information of the Compound
| Compound ID |
CP0939953
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| Compound Name |
1-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)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 |
Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)(C)C
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| InChI |
InChI=1S/C26H33N3O3/c1-19-24(23(31)16-15-20-11-7-5-8-12-20)25(32)29(21-13-9-6-10-14-21)28(19)18-22(30)17-27-26(2,3)4/h5-14,22,27,30H,15-18H2,1-4H3/t22-/m1/s1
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| InChIKey |
KUSGGGSLNMFDSU-JOCHJYFZSA-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