General Information of the Compound
| Compound ID |
CP0462082
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| Compound Name |
propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-2-(methylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H30FN5O5S
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| Molecular Weight |
507.588
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| Canonical SMILES |
CNc1nc2N(CCc2c(OC2CCN(CC2)C(=O)OC(C)C)n1)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30FN5O5S/c1-14(2)33-23(30)28-10-7-15(8-11-28)34-21-17-9-12-29(20(17)26-22(25-3)27-21)19-6-5-16(13-18(19)24)35(4,31)32/h5-6,13-15H,7-12H2,1-4H3,(H,25,26,27)
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| InChIKey |
MISNLMLANYSKKJ-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