General Information of the Compound
| Compound ID |
CP0464691
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| Compound Name |
3-(Indol-3-yl)-7-methoxycoumarin
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| Structure |
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| Formula |
C18H13NO3
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| Molecular Weight |
291.306
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| Canonical SMILES |
COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
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| InChI |
InChI=1S/C18H13NO3/c1-21-12-7-6-11-8-14(18(20)22-17(11)9-12)15-10-19-16-5-3-2-4-13(15)16/h2-10,19H,1H3
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| InChIKey |
SFSKAYKRXSWNTD-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B