General Information of the Compound
| Compound ID |
CP0146707
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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]-1H-quinazoline-2,4-dione
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| Structure |
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| Formula |
C25H29N3O5
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| Molecular Weight |
451.523
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| Canonical SMILES |
COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
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| InChI |
InChI=1S/C25H29N3O5/c1-31-21-6-4-5-16-17(21)8-7-15-13-27(14-19(15)16)9-10-28-24(29)18-11-22(32-2)23(33-3)12-20(18)26-25(28)30/h4-6,11-12,15,19H,7-10,13-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1
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| InChIKey |
IATJRNATRBECGI-HNAYVOBHSA-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