General Information of the Compound
| Compound ID |
CP0399984
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| Compound Name |
4-[4-[4-butoxy-2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
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| Structure |
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| Formula |
C23H29F2N7O3
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| Molecular Weight |
489.527
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| Canonical SMILES |
CCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C23H29F2N7O3/c1-2-3-11-35-17-6-4-5-16-18(17)26-20(19(24)25)32(16)23-28-21(30-7-12-33-13-8-30)27-22(29-23)31-9-14-34-15-10-31/h4-6,19H,2-3,7-15H2,1H3
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| InChIKey |
WSRPAVGYKVKAEU-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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform