General Information of the Compound
| Compound ID |
CP0366718
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| Compound Name |
5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C17H15NO4
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| Molecular Weight |
297.31
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| Canonical SMILES |
COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
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| InChIKey |
JMOOGCFXFNKYCS-UHFFFAOYSA-N
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| CAS |
2495-92-3
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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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2