General Information of the Compound
| Compound ID |
CP0140197
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| Compound Name |
4-[(3-chloro-2-methylphenyl)methyl]-5-methoxy-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
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| Structure |
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| Formula |
C18H19ClN4O3S
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| Molecular Weight |
406.895
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| Canonical SMILES |
COc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
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| InChI |
InChI=1S/C18H19ClN4O3S/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-17(23)25-2)27-18(20-15)22-6-8-26-9-7-22/h3-5H,6-10H2,1-2H3
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| InChIKey |
NIOGVABEDZLBHH-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000196 | MDA-MB-468 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 21 nM
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TI
LI
LO
TS
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