General Information of the Compound
| Compound ID |
CP0563553
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| Compound Name |
6-[dimethylcarbamoyl(ethyl)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 |
C36H35FN6O5
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| Molecular Weight |
650.711
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| Canonical SMILES |
CCN(C(=O)N(C)C)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/C36H35FN6O5/c1-6-43(35(46)42(3)4)27-20-29-25(30(33(45)38-2)31(48-29)21-8-11-23(37)12-9-21)19-24(27)22-10-13-28(47-5)26(18-22)32(44)41-36(14-15-36)34-39-16-7-17-40-34/h7-13,16-20H,6,14-15H2,1-5H3,(H,38,45)(H,41,44)
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| InChIKey |
OYGULRZSBOLZIQ-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