General Information of the Compound
| Compound ID |
CP0865021
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| Compound Name |
3-(4-Methoxyphenyl)-1-morpholino-5-phenyl-8,9,10,10atetrahydropyrimido[5,4-e]pyrrolo[1,2-c]pyrimidine-6(5H)-thione
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| Structure |
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| Formula |
C26H27N5O2S
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| Molecular Weight |
473.602
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| Canonical SMILES |
COc1ccc(-c2nc(N3CCOCC3)c3c(n2)N(c2ccccc2)C(=S)N2CCCC32)cc1
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| InChI |
InChI=1S/C26H27N5O2S/c1-32-20-11-9-18(10-12-20)23-27-24(29-14-16-33-17-15-29)22-21-8-5-13-30(21)26(34)31(25(22)28-23)19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3
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| InChIKey |
CLNISIBMROADFZ-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