General Information of the Compound
| Compound ID |
CP0158290
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| Compound Name |
5-(2-amino-1,3-thiazol-4-yl)-N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-2-carboxamide
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| Structure |
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| Formula |
C26H23N7O3S2
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| Molecular Weight |
545.65
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3csc(N)n3)nc2c1
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| InChI |
InChI=1S/C26H23N7O3S2/c1-32(24(36)15-5-3-2-4-6-15)16-7-8-19-17(13-16)30-26(33(19)12-11-22(27)34)31-23(35)21-10-9-20(38-21)18-14-37-25(28)29-18/h2-10,13-14H,11-12H2,1H3,(H2,27,34)(H2,28,29)(H,30,31,35)
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| InChIKey |
MMBNQDYIJPDYEP-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