General Information of the Compound
| Compound ID |
CP0538738
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| Compound Name |
(1S,3aS,6aR)-5-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)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 |
C29H22FNO5
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| Molecular Weight |
483.495
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| Canonical SMILES |
CC(C)c1ccc(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/C29H22FNO5/c1-15(2)16-7-9-17(10-8-16)24-22-23(28(35)31(27(22)34)19-13-11-18(30)12-14-19)29(36-24)25(32)20-5-3-4-6-21(20)26(29)33/h3-15,22-24H,1-2H3/t22-,23-,24-/m1/s1
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| InChIKey |
MNVNKWBDLWRIBB-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