General Information of the Compound
| Compound ID |
CP0389506
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| Compound Name |
propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-6-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H29FN4O5S
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| Molecular Weight |
492.573
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(C(C)Cc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H29FN4O5S/c1-14(2)32-23(29)27-9-7-16(8-10-27)33-22-18-11-15(3)28(21(18)25-13-26-22)20-6-5-17(12-19(20)24)34(4,30)31/h5-6,12-16H,7-11H2,1-4H3
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| InChIKey |
DDIVZSGFRUFEDT-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