General Information of the Compound
| Compound ID |
CP0349370
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| Compound Name |
N-[6-[2-(2-phenylpropan-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NC(C)(C)c2ccccc2)n1
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| InChI |
InChI=1S/C22H21N5OS/c1-14(28)24-21-26-18-10-9-15(13-19(18)29-21)17-11-12-23-20(25-17)27-22(2,3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,25,27)(H,24,26,28)
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| InChIKey |
YWWPYGURSDURBZ-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