General Information of the Compound
| Compound ID |
CP0428766
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| Compound Name |
5-[3-chloro-4-methoxy-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C34H31ClFN5O6S
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| Molecular Weight |
692.169
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| Canonical SMILES |
CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cc(Cl)c(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C34H31ClFN5O6S/c1-5-41(48(4,44)45)26-18-27-23(28(32(43)37-2)29(47-27)19-7-9-21(36)10-8-19)17-22(26)20-15-24(30(46-3)25(35)16-20)31(42)40-34(11-12-34)33-38-13-6-14-39-33/h6-10,13-18H,5,11-12H2,1-4H3,(H,37,43)(H,40,42)
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| InChIKey |
KATMITIMPSRCKL-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