General Information of the Compound
| Compound ID |
CP0395575
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| Compound Name |
1-[(2S)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
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| Structure |
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| Formula |
C19H17BrN2O3
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| Molecular Weight |
401.26
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| Canonical SMILES |
C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N
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| InChI |
InChI=1S/C19H17BrN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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| InChIKey |
TUHLFBMOHFOMAY-IBGZPJMESA-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