General Information of the Compound
| Compound ID |
CP0455191
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| Compound Name |
7-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
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| Structure |
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| Formula |
C22H14ClF2N5O2
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| Molecular Weight |
453.836
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| Canonical SMILES |
Cc1nc2c3[nH]c(Nc4c(F)cccc4Cl)nc3cc(C(=O)Nc3ccc(F)cc3)c2o1
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| InChI |
InChI=1S/C22H14ClF2N5O2/c1-10-26-19-18-16(28-22(30-18)29-17-14(23)3-2-4-15(17)25)9-13(20(19)32-10)21(31)27-12-7-5-11(24)6-8-12/h2-9H,1H3,(H,27,31)(H2,28,29,30)
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| InChIKey |
CDMMELQPNRWCRM-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