General Information of the Compound
| Compound ID |
CP0397598
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| Compound Name |
propan-2-yl 4-[[7-(4-dimethylsulfinamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H31N5O4S
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| Molecular Weight |
473.599
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1)S(=O)N(C)C
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| InChI |
InChI=1S/C23H31N5O4S/c1-16(2)31-23(29)27-12-9-18(10-13-27)32-22-20-11-14-28(21(20)24-15-25-22)17-5-7-19(8-6-17)33(30)26(3)4/h5-8,15-16,18H,9-14H2,1-4H3
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| InChIKey |
YDOYWLYWLCMJMN-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