General Information of the Compound
| Compound ID |
CP0463409
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| Compound Name |
tert-butyl 4-[4-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H32N4O5S
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| Molecular Weight |
512.632
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H32N4O5S/c1-26(2,3)35-25(31)29-12-9-17(10-13-29)20-15-34-23-22(20)27-16-28-24(23)30-11-5-6-18-14-19(36(4,32)33)7-8-21(18)30/h7-8,14-17H,5-6,9-13H2,1-4H3
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| InChIKey |
GNYGWJVJFIRGPU-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