General Information of the Compound
| Compound ID |
CP0447964
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| Compound Name |
1-methyl-5-phenylmethoxyindole-2-carboxylic acid
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| Structure |
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| Formula |
C17H15NO3
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| Molecular Weight |
281.311
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| Canonical SMILES |
Cn1c(cc2cc(OCc3ccccc3)ccc12)C(O)=O
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| InChI |
InChI=1S/C17H15NO3/c1-18-15-8-7-14(9-13(15)10-16(18)17(19)20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
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| InChIKey |
UPJCRKMBZZSXEY-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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2