General Information of the Compound
| Compound ID |
CP0529564
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| Compound Name |
tert-butyl 4-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H31N5O4S
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| Molecular Weight |
497.621
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)n1ccc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C25H31N5O4S/c1-25(2,3)34-24(31)28-11-8-18(9-12-28)29-14-10-20-22(29)26-16-27-23(20)30-13-7-17-15-19(35(4,32)33)5-6-21(17)30/h5-6,10,14-16,18H,7-9,11-13H2,1-4H3
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| InChIKey |
ADHSJODREJUIPZ-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