General Information of the Compound
| Compound ID |
CP0411228
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| Compound Name |
1-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N
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| InChI |
InChI=1S/C20H17N3O3/c1-20(25,13-26-16-7-5-14(11-21)6-8-16)19(24)23-10-9-17-15(12-22)3-2-4-18(17)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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| InChIKey |
VHLMFSNVTYEYOE-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