General Information of the Compound
| Compound ID |
CP0395311
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| Compound Name |
1-(1-(4,5-dihydrothiazol-2-yl)-3-isopropyl-2-methyl-5-oxo-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
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| Structure |
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| Formula |
C18H23N5O2S2
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| Molecular Weight |
405.549
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| Canonical SMILES |
CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(C3=NCCS3)c2=O)cc1
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| InChI |
InChI=1S/C18H23N5O2S2/c1-11(2)15-14(16(24)23(22(15)3)18-19-9-10-27-18)21-17(25)20-12-5-7-13(26-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,20,21,25)
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| InChIKey |
AILRBWXTHGHPIV-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