General Information of the Compound
| Compound ID |
CP0484366
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| Compound Name |
1-(4-cyanophenyl)-N-[2-fluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-7-oxo-8-propan-2-ylpteridin-6-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C28H28F2N8O3S
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| Molecular Weight |
594.648
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| Canonical SMILES |
CC(C)n1c2nc(N[C@@H]3CNC[C@@H](F)C3)ncc2nc(-c2ccc(NS(=O)(=O)Cc3ccc(cc3)C#N)c(F)c2)c1=O
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| InChI |
InChI=1S/C28H28F2N8O3S/c1-16(2)38-26-24(14-33-28(36-26)34-21-10-20(29)12-32-13-21)35-25(27(38)39)19-7-8-23(22(30)9-19)37-42(40,41)15-18-5-3-17(11-31)4-6-18/h3-9,14,16,20-21,32,37H,10,12-13,15H2,1-2H3,(H,33,34,36)/t20-,21-/m0/s1
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| InChIKey |
MDSOQZGJTZIQCG-SFTDATJTSA-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