General Information of the Compound
| Compound ID |
CP0500584
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| Compound Name |
2,2-dimethylpropyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H31FN4O5S
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| Molecular Weight |
506.6
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| Canonical SMILES |
CC(C)(C)COC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C24H31FN4O5S/c1-24(2,3)14-33-23(30)28-10-7-16(8-11-28)34-22-18-9-12-29(21(18)26-15-27-22)20-6-5-17(13-19(20)25)35(4,31)32/h5-6,13,15-16H,7-12,14H2,1-4H3
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| InChIKey |
SXSMMTDDUZRWTE-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