General Information of the Compound
| Compound ID |
CP0387421
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| Compound Name |
3-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]methyl]-1-ethyl-1-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea
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| Structure |
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| Formula |
C22H20ClF2N9O4
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| Molecular Weight |
547.91
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| Canonical SMILES |
CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
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| InChI |
InChI=1S/C22H20ClF2N9O4/c1-4-34(30-21(35)17-8-18(37-3)31-38-17)22(36)27-10-16-14(24)5-11(9-26-16)13-6-12(23)7-15(25)19(13)20-28-32-33(2)29-20/h5-9H,4,10H2,1-3H3,(H,27,36)(H,30,35)
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| InChIKey |
CPQOSUWWNIIIDN-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