General Information of the Compound
| Compound ID |
CP0869038
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| Compound Name |
5-Phenyl-3-(1'-morpholinoethyl)-6-thioxo-5,6,8,9,10,10ahexahydropyrimido[5,4-e]pyrrolo[1,2-c]pyrimidin-1(2H)-one
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| Structure |
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| Formula |
C21H25N5O2S
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| Molecular Weight |
411.531
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| Canonical SMILES |
CC(c1nc2c(c(=O)[nH]1)C1CCCN1C(=S)N2c1ccccc1)N1CCOCC1
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| InChI |
InChI=1S/C21H25N5O2S/c1-14(24-10-12-28-13-11-24)18-22-19-17(20(27)23-18)16-8-5-9-25(16)21(29)26(19)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,22,23,27)
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| InChIKey |
VGCHBALGMBKBRR-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: PT01368, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Protein ID: PT02170, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1340 nM
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TI
LI
LO
TS
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