General Information of the Compound
| Compound ID |
CP0949381
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| Compound Name |
4-benzoyl-1-[(2R)-2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenylpyrazol-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 |
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)C
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| InChI |
InChI=1S/C23H27N3O3/c1-16(2)24-14-20(27)15-25-17(3)21(22(28)18-10-6-4-7-11-18)23(29)26(25)19-12-8-5-9-13-19/h4-13,16,20,24,27H,14-15H2,1-3H3/t20-/m1/s1
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| InChIKey |
VZPAOCHCLZMTIZ-HXUWFJFHSA-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