General Information of the Compound
| Compound ID |
CP0178121
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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-fluoropyridin-4-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C28H23FN6O3S
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| Molecular Weight |
542.596
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(F)c3)nc2c1
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| InChI |
InChI=1S/C28H23FN6O3S/c1-34(27(38)17-5-3-2-4-6-17)19-7-8-21-20(16-19)32-28(35(21)14-12-25(30)36)33-26(37)23-10-9-22(39-23)18-11-13-31-24(29)15-18/h2-11,13,15-16H,12,14H2,1H3,(H2,30,36)(H,32,33,37)
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| InChIKey |
AFVDQRKAOQLYKF-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