General Information of the Compound
| Compound ID |
CP0245732
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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-acetylthiophene-2-carboxamide
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| Structure |
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| Formula |
C25H23N5O4S
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| Molecular Weight |
489.557
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=O)nc2c1
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| InChI |
InChI=1S/C25H23N5O4S/c1-15(31)20-10-11-21(35-20)23(33)28-25-27-18-14-17(8-9-19(18)30(25)13-12-22(26)32)29(2)24(34)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,26,32)(H,27,28,33)
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| InChIKey |
UBOPXWHTIVENRV-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