General Information of the Compound
| Compound ID |
CP0552558
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| Compound Name |
(1S,3aS,6aR)-5-(4-ethoxyphenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
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| Structure |
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| Formula |
C29H23NO6
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| Molecular Weight |
481.504
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| Canonical SMILES |
CCOc1ccc(cc1)N1C(=O)[C@H]2[C@H](OC3([C@H]2C1=O)C(=O)c1ccccc1C3=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C29H23NO6/c1-3-35-19-14-12-18(13-15-19)30-27(33)22-23(28(30)34)29(36-24(22)17-10-8-16(2)9-11-17)25(31)20-6-4-5-7-21(20)26(29)32/h4-15,22-24H,3H2,1-2H3/t22-,23-,24-/m1/s1
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| InChIKey |
ASIWZTUQSVPCFO-WXFUMESZSA-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