General Information of the Compound
| Compound ID |
CP0451486
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| Compound Name |
(2Z)-2-[[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
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| Structure |
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| Formula |
C25H25NO5
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| Molecular Weight |
419.477
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| Canonical SMILES |
COc1ccc2n(CC3CCCCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
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| InChI |
InChI=1S/C25H25NO5/c1-30-18-7-8-20-19(12-18)16(14-26(20)13-15-5-3-2-4-6-15)9-23-25(29)24-21(28)10-17(27)11-22(24)31-23/h7-12,14-15,27-28H,2-6,13H2,1H3/b23-9-
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| InChIKey |
RSUMRVJNHPFLEH-AQHIEDMUSA-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