General Information of the Compound
| Compound ID |
CP0306526
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| Compound Name |
N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H25F2N5O4S
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| Molecular Weight |
505.547
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| Canonical SMILES |
Cc1cnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H25F2N5O4S/c1-14-12-26-23(27-16-10-17(24)22(18(25)11-16)29-5-7-33-8-6-29)28-21(14)20-9-15-13-30(35(2,31)32)4-3-19(15)34-20/h9-12H,3-8,13H2,1-2H3,(H,26,27,28)
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| InChIKey |
IKRKIGMNIAIYNJ-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