General Information of the Compound
| Compound ID |
CP0873711
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| Compound Name |
1-Morpholino-3-(morpholinomethyl)-5-phenyl-8,9,10,10ahexahydropyrimido[5,4-e]pyrrolo[1,2-c]pyrimidine-6(5H)-thione
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| Structure |
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| Formula |
C24H30N6O2S
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| Molecular Weight |
466.611
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| Canonical SMILES |
S=C1N(c2ccccc2)c2nc(CN3CCOCC3)nc(N3CCOCC3)c2C2CCCN12
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| InChI |
InChI=1S/C24H30N6O2S/c33-24-29-8-4-7-19(29)21-22(28-11-15-32-16-12-28)25-20(17-27-9-13-31-14-10-27)26-23(21)30(24)18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2
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| InChIKey |
WOSHVMJATUJPDT-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: 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 | |
| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1980 nM
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TI
LI
LO
TS
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| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 74530 nM
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TI
LI
LO
TS
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