General Information of the Compound
| Compound ID |
CP0036378
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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-(pyrazin-2-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H23N7O3S
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| Molecular Weight |
525.594
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnccn3)nc2c1
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| InChI |
InChI=1S/C27H23N7O3S/c1-33(26(37)17-5-3-2-4-6-17)18-7-8-21-19(15-18)31-27(34(21)14-11-24(28)35)32-25(36)23-10-9-22(38-23)20-16-29-12-13-30-20/h2-10,12-13,15-16H,11,14H2,1H3,(H2,28,35)(H,31,32,36)
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| InChIKey |
XVZYMHZUVJKMBG-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