General Information of the Compound
| Compound ID |
CP0424458
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| Compound Name |
Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-piperidin-1-yl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C41H48N4O4S
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| Molecular Weight |
692.926
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| Canonical SMILES |
CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
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| InChI |
InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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| InChIKey |
GNBCBCRWRBTDTP-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