General Information of the Compound
| Compound ID |
CP0491019
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| Compound Name |
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C26H26N4O4/c1-2-12-30-22-14-21(27-24(22)25(32)28-26(30)33)18-7-9-20(10-8-18)34-16-23(31)29-13-11-17-5-3-4-6-19(17)15-29/h3-10,14,27H,2,11-13,15-16H2,1H3,(H,28,32,33)
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| InChIKey |
QFLDWTGVWDWBOE-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