General Information of the Compound
| Compound ID |
CP0169839
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| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-3-carboxamide
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccsc3)nc2c1
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| InChI |
InChI=1S/C23H21N5O3S/c1-27(22(31)15-5-3-2-4-6-15)17-7-8-19-18(13-17)25-23(28(19)11-9-20(24)29)26-21(30)16-10-12-32-14-16/h2-8,10,12-14H,9,11H2,1H3,(H2,24,29)(H,25,26,30)
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| InChIKey |
NEWALRCVHVFLBK-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