General Information of the Compound
| Compound ID |
CP0522965
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| Compound Name |
1-(4-chlorophenyl)-3-(1-(4,5-dihydrothiazol-2-yl)-3-isopropyl-2-methyl-5-oxo-2,5-dihydro-1H-pyrazol-4-yl)urea
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| Structure |
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| Formula |
C17H20ClN5O2S
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| Molecular Weight |
393.9
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| Canonical SMILES |
CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(C2=NCCS2)n1C
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| InChI |
InChI=1S/C17H20ClN5O2S/c1-10(2)14-13(15(24)23(22(14)3)17-19-8-9-26-17)21-16(25)20-12-6-4-11(18)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,20,21,25)
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| InChIKey |
AZACRNWMNWJCAN-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