General Information of the Compound
| Compound ID |
CP0494971
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| Compound Name |
N-[4-[3-[2-(5-chlorothiophen-2-yl)ethynyl]-5-methylphenyl]-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H17ClN4OS2
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| Molecular Weight |
513.047
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| Canonical SMILES |
Cc1cc(cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1)C#Cc1ccc(Cl)s1
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| InChI |
InChI=1S/C27H17ClN4OS2/c1-17-13-18(4-5-22-6-7-23(28)34-22)15-21(14-17)24-25(19-8-11-29-12-9-19)35-27(31-24)32-26(33)20-3-2-10-30-16-20/h2-3,6-16H,1H3,(H,31,32,33)
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| InChIKey |
XDYKAPGPXUWXSS-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