General Information of the Compound
| Compound ID |
CP0288937
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| Compound Name |
3,6-dichloro-N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C13H7Cl2N3O2S
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| Molecular Weight |
340.191
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| Canonical SMILES |
Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1ccnc(=O)[nH]1
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| InChI |
InChI=1S/C13H7Cl2N3O2S/c14-6-1-2-7-8(5-6)21-11(10(7)15)12(19)17-9-3-4-16-13(20)18-9/h1-5H,(H2,16,17,18,19,20)
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| InChIKey |
BXFFBBNSDICFQX-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