General Information of the Compound
| Compound ID |
CP0359982
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| Compound Name |
3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-2-[4-(3-methyluriedo)phenyl]-4-oxothieno[2,3-b]pyridine
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| Structure |
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| Formula |
C35H34F2N4O3S
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| Molecular Weight |
628.745
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C35H34F2N4O3S/c1-21(2)31(42)27-20-41(19-25-28(36)11-8-12-29(25)37)34-30(32(27)43)26(18-40(4)17-22-9-6-5-7-10-22)33(45-34)23-13-15-24(16-14-23)39-35(44)38-3/h5-16,20-21H,17-19H2,1-4H3,(H2,38,39,44)
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| InChIKey |
YEVRFOQFAUPFAJ-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