General Information of the Compound
| Compound ID |
CP0103803
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| Compound Name |
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3,4-dihydro-1H-quinazolin-2-one
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)Nc2cc1OC
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| InChI |
InChI=1S/C25H31N3O4/c1-30-22-6-4-5-18-19(22)8-7-16-13-27(15-20(16)18)9-10-28-14-17-11-23(31-2)24(32-3)12-21(17)26-25(28)29/h4-6,11-12,16,20H,7-10,13-15H2,1-3H3,(H,26,29)/t16-,20+/m0/s1
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| InChIKey |
HJYOVHVIYFAHDI-OXJNMPFZSA-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