General Information of the Compound
| Compound ID |
CP0043194
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| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H24N6O4S
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| Molecular Weight |
528.594
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
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| InChI |
InChI=1S/C27H24N6O4S/c1-16-29-15-21(37-16)22-10-11-23(38-22)25(35)31-27-30-19-14-18(8-9-20(19)33(27)13-12-24(28)34)32(2)26(36)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H2,28,34)(H,30,31,35)
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| InChIKey |
FUUMUCYFYLYLQL-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