General Information of the Compound
| Compound ID |
CP0533411
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| Compound Name |
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C35H34FN5O6S
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| Molecular Weight |
671.751
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| Canonical SMILES |
CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cc(C)c(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C35H34FN5O6S/c1-6-41(48(5,44)45)27-19-28-25(29(33(43)37-3)31(47-28)21-8-10-23(36)11-9-21)18-24(27)22-16-20(2)30(46-4)26(17-22)32(42)40-35(12-13-35)34-38-14-7-15-39-34/h7-11,14-19H,6,12-13H2,1-5H3,(H,37,43)(H,40,42)
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| InChIKey |
ZAPGMDYFSUZKCG-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