General Information of the Compound
| Compound ID |
CP0408799
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| Compound Name |
tert-butyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-2-methyl-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 |
Cc1nc2N(CCc2c(OC2CCN(CC2)C(=O)OC(C)(C)C)n1)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C24H31FN4O5S/c1-15-26-21-18(10-13-29(21)20-7-6-17(14-19(20)25)35(5,31)32)22(27-15)33-16-8-11-28(12-9-16)23(30)34-24(2,3)4/h6-7,14,16H,8-13H2,1-5H3
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| InChIKey |
CRLRBSUPLCICHP-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