General Information of the Compound
| Compound ID |
CP0478401
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| Compound Name |
4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-7-(1-pyrimidin-2-ylpiperidin-4-yl)furo[3,2-d]pyrimidine
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| Structure |
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| Formula |
C24H24N6O3S
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| Molecular Weight |
476.562
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| Canonical SMILES |
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C24H24N6O3S/c1-34(31,32)18-3-4-20-17(13-18)7-12-30(20)23-22-21(27-15-28-23)19(14-33-22)16-5-10-29(11-6-16)24-25-8-2-9-26-24/h2-4,8-9,13-16H,5-7,10-12H2,1H3
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| InChIKey |
HAWNQXXFCAEDPH-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