General Information of the Compound
| Compound ID |
CP0918007
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| Compound Name |
Biphenyl-2-carboxylic acid [2-methoxy-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 |
C29H26N2O3S
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| Molecular Weight |
482.605
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| Canonical SMILES |
COc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C29H26N2O3S/c1-34-26-19-21(29(33)31-17-8-7-13-27-25(31)16-18-35-27)14-15-24(26)30-28(32)23-12-6-5-11-22(23)20-9-3-2-4-10-20/h2-6,9-12,14-16,18-19H,7-8,13,17H2,1H3,(H,30,32)
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| InChIKey |
LTZZPEJJGSQGSD-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