General Information of the Compound
| Compound ID |
CP0417501
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| Compound Name |
1-[2-[4-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidin-7-yl]piperidin-1-yl]pyrimidin-5-yl]ethanone
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| Structure |
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| Formula |
C26H26N6O4S
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| Molecular Weight |
518.599
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| Canonical SMILES |
CC(=O)c1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H26N6O4S/c1-16(33)19-12-27-26(28-13-19)31-8-5-17(6-9-31)21-14-36-24-23(21)29-15-30-25(24)32-10-7-18-11-20(37(2,34)35)3-4-22(18)32/h3-4,11-15,17H,5-10H2,1-2H3
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| InChIKey |
NTYGLVPCHNBPKP-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