General Information of the Compound
| Compound ID |
CP0212256
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| Compound Name |
N-[6-[2-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H17N5O3S2
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| Molecular Weight |
439.522
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NS(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C20H17N5O3S2/c1-12-3-6-15(7-4-12)30(27,28)25-19-21-10-9-16(23-19)14-5-8-17-18(11-14)29-20(24-17)22-13(2)26/h3-11H,1-2H3,(H,21,23,25)(H,22,24,26)
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| InChIKey |
RVCFUPFVNDAYNL-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