General Information of the Compound
| Compound ID |
CP0578341
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| Compound Name |
1-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C18H11F4N5O
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| Molecular Weight |
389.312
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H11F4N5O/c19-12-2-4-13(5-3-12)24-17(28)25-16-7-8-27(26-16)14-6-1-11(10-23)15(9-14)18(20,21)22/h1-9H,(H2,24,25,26,28)
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| InChIKey |
OPMPANWJHTUALE-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