General Information of the Compound
| Compound ID |
CP0268621
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| Compound Name |
3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benzamide
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| Structure |
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| Formula |
C17H16N2O4
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| Molecular Weight |
312.325
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1
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| InChI |
InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)
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| InChIKey |
UYVJAIZMSPRFQW-UHFFFAOYSA-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