General Information of the Compound
| Compound ID |
CP0510601
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| Compound Name |
3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1-(4,4-difluorocyclohexyl)-1-hydroxyurea
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| Structure |
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| Formula |
C21H20ClF4N7O2
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| Molecular Weight |
513.883
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| Canonical SMILES |
Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCC(F)(F)CC2)c(F)c1
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| InChI |
InChI=1S/C21H20ClF4N7O2/c1-32-30-19(29-31-32)18-14(7-12(22)8-16(18)24)11-6-15(23)17(27-9-11)10-28-20(34)33(35)13-2-4-21(25,26)5-3-13/h6-9,13,35H,2-5,10H2,1H3,(H,28,34)
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| InChIKey |
RNQBAXJIHWGMKD-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