General Information of the Compound
| Compound ID |
CP0339119
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| Compound Name |
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester
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| Structure |
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| Formula |
C25H27N3O5
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| Molecular Weight |
449.507
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| Canonical SMILES |
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
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| InChI |
InChI=1S/C25H27N3O5/c1-32-22-5-3-4-17-18(22)8-7-16-13-27(14-20(16)17)10-11-28-23(29)19-9-6-15(24(30)33-2)12-21(19)26-25(28)31/h3-6,9,12,16,20H,7-8,10-11,13-14H2,1-2H3,(H,26,31)/t16-,20+/m0/s1
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| InChIKey |
PDRJBDSCLNHWKG-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