General Information of the Compound
| Compound ID |
CP0758053
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| Compound Name |
5-Chloro-pyridine-2-carboxylic acid [3-((1SR,6RS)-3-amino-4-thia-2-aza-bicyclo[4.1.0]hept-2-en-1-yl)-phenyl]-amide
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| Structure |
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| Formula |
C17H15ClN4OS
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| Molecular Weight |
358.854
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| Canonical SMILES |
NC1=NC2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CC2CS1
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| InChI |
InChI=1S/C17H15ClN4OS/c18-12-4-5-14(20-8-12)15(23)21-13-3-1-2-10(6-13)17-7-11(17)9-24-16(19)22-17/h1-6,8,11H,7,9H2,(H2,19,22)(H,21,23)
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| InChIKey |
PXQWSONWLAAKGA-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