General Information of the Compound
| Compound ID |
CP0873710
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| Compound Name |
1-Morpholino-3-(1'-morpholinoethyl)-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 |
C25H32N6O2S
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| Molecular Weight |
480.638
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| Canonical SMILES |
CC(c1nc(N2CCOCC2)c2c(n1)N(c1ccccc1)C(=S)N1CCCC21)N1CCOCC1
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| InChI |
InChI=1S/C25H32N6O2S/c1-18(28-10-14-32-15-11-28)22-26-23(29-12-16-33-17-13-29)21-20-8-5-9-30(20)25(34)31(24(21)27-22)19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3
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| InChIKey |
URIHSPIQMWIPON-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 = 1990 nM
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TI
LI
LO
TS
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| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 78450 nM
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TI
LI
LO
TS
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