General Information of the Compound
| Compound ID |
CP0556768
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| Compound Name |
(1S,3aS,6aR)-5-(2-methoxy-4-methylphenyl)-1-(3-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
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| Formula |
C29H23NO6
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| Molecular Weight |
481.504
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| Canonical SMILES |
COc1cc(C)ccc1N1C(=O)[C@H]2[C@H](OC3([C@H]2C1=O)C(=O)c1ccccc1C3=O)c1cccc(C)c1
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| InChI |
InChI=1S/C29H23NO6/c1-15-7-6-8-17(13-15)24-22-23(29(36-24)25(31)18-9-4-5-10-19(18)26(29)32)28(34)30(27(22)33)20-12-11-16(2)14-21(20)35-3/h4-14,22-24H,1-3H3/t22-,23-,24-/m1/s1
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| InChIKey |
MSCFYEKFCHLNCM-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