General Information of the Compound
| Compound ID |
CP0415629
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| Compound Name |
1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
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| Structure |
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| Formula |
C20H20N2O4
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| Molecular Weight |
352.39
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| Canonical SMILES |
COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1
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| InChI |
InChI=1S/C20H20N2O4/c1-20(24,13-26-16-8-6-15(25-2)7-9-16)19(23)22-11-10-17-14(12-21)4-3-5-18(17)22/h3-9,24H,10-11,13H2,1-2H3/t20-/m0/s1
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| InChIKey |
HELNSFBKNADYJI-FQEVSTJZSA-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