General Information of the Compound
| Compound ID |
CP0546860
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| Compound Name |
4-[5-[(2-aminophenyl)methylcarbamoyl]thiophen-2-yl]-5-chloro-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C21H16ClN3O2S2
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| Molecular Weight |
441.965
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| Canonical SMILES |
NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3ccccc3N)c(Cl)ccc2s1
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| InChI |
InChI=1S/C21H16ClN3O2S2/c22-13-5-6-15-12(9-18(28-15)20(24)26)19(13)16-7-8-17(29-16)21(27)25-10-11-3-1-2-4-14(11)23/h1-9H,10,23H2,(H2,24,26)(H,25,27)
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| InChIKey |
JLGZOWVGNXABBW-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