General Information of the Compound
| Compound ID |
CP0865020
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| Compound Name |
5-Ethyl-3-(4-methoxyphenyl)-1-morpholino-8,9,10,10a-tetrahydropyrimido[5,4-e]pyrrolo[1,2-c]pyrimidine-6(5H)-thione
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| Structure |
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| Formula |
C22H27N5O2S
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| Molecular Weight |
425.558
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| Canonical SMILES |
CCN1C(=S)N2CCCC2c2c(N3CCOCC3)nc(-c3ccc(OC)cc3)nc21
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| InChI |
InChI=1S/C22H27N5O2S/c1-3-26-21-18(17-5-4-10-27(17)22(26)30)20(25-11-13-29-14-12-25)23-19(24-21)15-6-8-16(28-2)9-7-15/h6-9,17H,3-5,10-14H2,1-2H3
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| InChIKey |
MLUMXMVEGLESPK-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: PT02170, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta