General Information of the Compound
| Compound ID |
CP0220027
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| Compound Name |
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccnc5c4=O)C[C@@H]3CCc12
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| InChI |
InChI=1S/C22H24N4O3/c1-29-19-6-2-4-15-16(19)8-7-14-12-25(13-17(14)15)10-11-26-21(27)20-18(24-22(26)28)5-3-9-23-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,24,28)/t14-,17+/m0/s1
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| InChIKey |
UUWKLRJOWBMKIO-WMLDXEAASA-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