General Information of the Compound
| Compound ID |
CP0484571
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| Compound Name |
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(oxan-4-ylmethoxymethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C24H30N2O6
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| Molecular Weight |
442.512
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| Canonical SMILES |
O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(COCC4CCOCC4)cc3CCn12
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| InChI |
InChI=1S/C24H30N2O6/c27-24-25-23(32-16-20-15-29-9-10-31-20)12-22-21-2-1-18(11-19(21)3-6-26(22)24)14-30-13-17-4-7-28-8-5-17/h1-2,11-12,17,20H,3-10,13-16H2/t20-/m0/s1
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| InChIKey |
FDBUJVHYUALRBC-FQEVSTJZSA-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