General Information of the Compound
| Compound ID |
CP0395842
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| Compound Name |
N-[1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C22H26F2N8O2
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| Molecular Weight |
472.5
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| Canonical SMILES |
CC(=O)NC1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C22H26F2N8O2/c1-14(33)25-15-6-8-30(9-7-15)20-27-21(31-10-12-34-13-11-31)29-22(28-20)32-17-5-3-2-4-16(17)26-19(32)18(23)24/h2-5,15,18H,6-13H2,1H3,(H,25,33)
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| InChIKey |
QSEWOXNJBHBTOE-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