General Information of the Compound
| Compound ID |
CP0314068
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| Compound Name |
N-[6-[6-chloro-5-[[cyano(phenyl)methyl]amino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H16ClN5OS
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| Molecular Weight |
433.924
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(C#N)c2ccccc2)c1
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| InChI |
InChI=1S/C22H16ClN5OS/c1-13(29)26-22-28-17-8-7-15(10-20(17)30-22)16-9-18(21(23)25-12-16)27-19(11-24)14-5-3-2-4-6-14/h2-10,12,19,27H,1H3,(H,26,28,29)
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| InChIKey |
RUGCYCMPTFYHPF-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