General Information of the Compound
| Compound ID |
CP0457951
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| Compound Name |
[3-[[2-[[2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]phenyl]methanol
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| Structure |
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| Formula |
C23H26FN7O
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| Molecular Weight |
435.507
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| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2c1cnc(F)c(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
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| InChI |
InChI=1S/C23H26FN7O/c1-14-9-26-23(29-22(14)27-16-5-3-4-15(6-16)13-32)28-20-8-17(10-25-21(20)24)31-12-18-7-19(31)11-30(18)2/h3-6,8-10,18-19,32H,7,11-13H2,1-2H3,(H2,26,27,28,29)/t18-,19-/m0/s1
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| InChIKey |
QSRMIMLJCHRBKE-OALUTQOASA-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