General Information of the Compound
| Compound ID |
CP0464278
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| Compound Name |
3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-N-isopropyl-4-oxo-2-(4-propionylamidophenyl)-thieno[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C36H36F2N4O3S
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| Molecular Weight |
642.772
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| Canonical SMILES |
CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)NC(C)C)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C36H36F2N4O3S/c1-5-31(43)40-25-16-14-24(15-17-25)34-27(19-41(4)18-23-10-7-6-8-11-23)32-33(44)28(35(45)39-22(2)3)21-42(36(32)46-34)20-26-29(37)12-9-13-30(26)38/h6-17,21-22H,5,18-20H2,1-4H3,(H,39,45)(H,40,43)
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| InChIKey |
AOSUFTVXIKYDQL-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