General Information of the Compound
| Compound ID |
CP0455020
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| Compound Name |
(2S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C23H28F2N8O2
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| Molecular Weight |
486.527
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| Canonical SMILES |
C[C@H](N)C(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C23H28F2N8O2/c1-14(26)21(34)31-8-6-15(7-9-31)19-28-22(32-10-12-35-13-11-32)30-23(29-19)33-17-5-3-2-4-16(17)27-20(33)18(24)25/h2-5,14-15,18H,6-13,26H2,1H3/t14-/m0/s1
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| InChIKey |
OMYRHUCIBLXTRT-AWEZNQCLSA-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform