General Information of the Compound
| Compound ID |
CP0505846
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| Compound Name |
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-5-methyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
CCCn1c2cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n(C)c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C30H34N4O4/c1-4-15-33-26-18-25(31(3)28(26)29(36)34(16-5-2)30(33)37)22-10-12-24(13-11-22)38-20-27(35)32-17-14-21-8-6-7-9-23(21)19-32/h6-13,18H,4-5,14-17,19-20H2,1-3H3
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| InChIKey |
GBKLHMOLHDLNFA-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