General Information of the Compound
| Compound ID |
CP0451485
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| Compound Name |
(2Z)-2-[(1-butyl-5-methylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
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| Structure |
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| Formula |
C22H21NO4
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| Molecular Weight |
363.413
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| Canonical SMILES |
CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(C)ccc12
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| InChI |
InChI=1S/C22H21NO4/c1-3-4-7-23-12-14(16-8-13(2)5-6-17(16)23)9-20-22(26)21-18(25)10-15(24)11-19(21)27-20/h5-6,8-12,24-25H,3-4,7H2,1-2H3/b20-9-
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| InChIKey |
RVTBQLHGUHRZHN-UKWGHVSLSA-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