General Information of the Compound
| Compound ID |
CP0242028
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| Compound Name |
N-[6-[6-chloro-5-[(2-chlorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H14Cl2N4O3S2
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| Molecular Weight |
493.397
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1
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| InChI |
InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27)
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| InChIKey |
CNNMZNARDXPHPB-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase