General Information of the Compound
| Compound ID |
CP0867448
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| Compound Name |
5-Ethyl-3-(morpholinomethyl)-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 |
C16H23N5O2S
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| Molecular Weight |
349.46
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| Canonical SMILES |
CCN1C(=S)N2CCCC2c2c1nc(CN1CCOCC1)[nH]c2=O
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| InChI |
InChI=1S/C16H23N5O2S/c1-2-20-14-13(11-4-3-5-21(11)16(20)24)15(22)18-12(17-14)10-19-6-8-23-9-7-19/h11H,2-10H2,1H3,(H,17,18,22)
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| InChIKey |
VBGRSGBHLIIGJP-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 = 4670 nM
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TI
LI
LO
TS
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