General Information of the Compound
| Compound ID |
CP0562781
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| Compound Name |
(1S,3aS,6aR)-5-(4-fluorophenyl)-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 |
C27H18FNO5
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| Molecular Weight |
455.441
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| Canonical SMILES |
Cc1ccc(cc1)[C@H]1OC2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(F)cc1)C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C27H18FNO5/c1-14-6-8-15(9-7-14)22-20-21(26(33)29(25(20)32)17-12-10-16(28)11-13-17)27(34-22)23(30)18-4-2-3-5-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21-,22-/m1/s1
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| InChIKey |
FOSKOAPDTTZQEB-YPAWHYETSA-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