General Information of the Compound
| Compound ID |
CP0406291
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| Compound Name |
(3S)-3-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-5-methylhexan-1-one
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| Structure |
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| Formula |
C26H35F2N9O2
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| Molecular Weight |
543.623
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| Canonical SMILES |
CC(C)C[C@H](N)CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C26H35F2N9O2/c1-17(2)15-18(29)16-21(38)34-7-9-35(10-8-34)24-31-25(36-11-13-39-14-12-36)33-26(32-24)37-20-6-4-3-5-19(20)30-23(37)22(27)28/h3-6,17-18,22H,7-16,29H2,1-2H3/t18-/m0/s1
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| InChIKey |
WMOPTJOWLJZFQG-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform