General Information of the Compound
| Compound ID |
CP0517592
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| Compound Name |
3-[(1R)-1-[5-[3,5-dichloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]-1-ethyl-1-[(2,2,2-trifluoroacetyl)amino]urea
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| Structure |
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| Formula |
C21H18Cl2F4N6O3
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| Molecular Weight |
549.312
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| Canonical SMILES |
CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1noc(C)n1
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| InChI |
InChI=1S/C21H18Cl2F4N6O3/c1-4-33(31-19(34)21(25,26)27)20(35)29-9(2)17-15(24)5-11(8-28-17)13-6-12(22)7-14(23)16(13)18-30-10(3)36-32-18/h5-9H,4H2,1-3H3,(H,29,35)(H,31,34)/t9-/m1/s1
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| InChIKey |
SUCCCVCWVFUCKF-SECBINFHSA-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