General Information of the Compound
| Compound ID |
CP0639397
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| Compound Name |
3-Methyl-thiophene-2-carboxylic acid[5-(2-methoxy-1-methyl-ethylcarbamoyl)-4'-methyl-biphenyl-3-yl]-amide
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
COCC(C)NC(=O)c1cc(NC(=O)c2sccc2C)cc(-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C24H26N2O3S/c1-15-5-7-18(8-6-15)19-11-20(23(27)25-17(3)14-29-4)13-21(12-19)26-24(28)22-16(2)9-10-30-22/h5-13,17H,14H2,1-4H3,(H,25,27)(H,26,28)
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| InChIKey |
KXRKIVGFNKHJJM-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