General Information of the Compound
| Compound ID |
CP0394396
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| Compound Name |
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-1,3-bis(2-methoxyethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H32N4O6
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| Molecular Weight |
532.597
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| Canonical SMILES |
COCCn1c2cc([nH]c2c(=O)n(CCOC)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C29H32N4O6/c1-37-15-13-32-25-17-24(30-27(25)28(35)33(29(32)36)14-16-38-2)21-7-9-23(10-8-21)39-19-26(34)31-12-11-20-5-3-4-6-22(20)18-31/h3-10,17,30H,11-16,18-19H2,1-2H3
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| InChIKey |
PVBYUDTVLVUTLI-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