General Information of the Compound
| Compound ID |
CP0424251
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| Compound Name |
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H20F2N4O4
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| Molecular Weight |
454.433
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| Canonical SMILES |
COc1ccc(cc1-c1ncco1)N1N=C(C)C(C(=O)Nc2cccc(c2)C(C)(F)F)C1=O
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| InChI |
InChI=1S/C23H20F2N4O4/c1-13-19(20(30)27-15-6-4-5-14(11-15)23(2,24)25)22(31)29(28-13)16-7-8-18(32-3)17(12-16)21-26-9-10-33-21/h4-12,19H,1-3H3,(H,27,30)
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| InChIKey |
WKHLFRDHGMGHAN-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