General Information of the Compound
| Compound ID |
CP0538741
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| Compound Name |
(1S,3aS,6aR)-5-(3-methoxyphenyl)-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 |
C28H21NO6
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| Molecular Weight |
467.477
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| Canonical SMILES |
COc1cccc(c1)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/C28H21NO6/c1-15-10-12-16(13-11-15)23-21-22(27(33)29(26(21)32)17-6-5-7-18(14-17)34-2)28(35-23)24(30)19-8-3-4-9-20(19)25(28)31/h3-14,21-23H,1-2H3/t21-,22-,23-/m1/s1
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| InChIKey |
ITCQMQJPRGFTLU-DNVJHFABSA-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