General Information of the Compound
| Compound ID |
CP0085980
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| Compound Name |
tert-butyl (3S)-3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]oxypyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C25H29N3O5
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| Molecular Weight |
451.523
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| Canonical SMILES |
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1
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| InChI |
InChI=1S/C25H29N3O5/c1-25(2,3)33-24(29)28-11-10-18(14-28)32-23-19-12-16(6-8-20(19)26-15-27-23)17-7-9-21(30-4)22(13-17)31-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m0/s1
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| InChIKey |
IBITZDMARMUFQZ-SFHVURJKSA-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: PT01045, 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