General Information of the Compound
| Compound ID |
CP0559673
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| Compound Name |
6-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C35H29F4N5O5
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| Molecular Weight |
675.639
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| Canonical SMILES |
CCN(C(=O)C(F)(F)F)c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C35H29F4N5O5/c1-4-44(33(47)35(37,38)39)25-18-27-23(28(31(46)40-2)29(49-27)19-6-9-21(36)10-7-19)17-22(25)20-8-11-26(48-3)24(16-20)30(45)43-34(12-13-34)32-41-14-5-15-42-32/h5-11,14-18H,4,12-13H2,1-3H3,(H,40,46)(H,43,45)
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| InChIKey |
KTLDBFJVHFKOIM-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