General Information of the Compound
| Compound ID |
CP0451759
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| Compound Name |
4-(2-chloro-6-fluoroanilino)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-10,13-dioxa-3,5,7-triazatricyclo[7.4.0.02,6]trideca-1,4,6,8-tetraene-8-carboxamide
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| Structure |
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| Formula |
C23H15ClF5N5O3
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| Molecular Weight |
539.848
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2nc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
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| InChI |
InChI=1S/C23H15ClF5N5O3/c1-34-17-19-18(36-5-6-37-19)16(21(35)30-12-8-10(23(27,28)29)7-11(25)9-12)31-20(17)33-22(34)32-15-13(24)3-2-4-14(15)26/h2-4,7-9H,5-6H2,1H3,(H,30,35)(H,31,32,33)
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| InChIKey |
HCKYIIINRPZAPO-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