General Information of the Compound
| Compound ID |
CP0492849
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| Compound Name |
methyl 4-[(2S)-3-(4-cyano-2,3-dihydroindol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]benzoate
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| Structure |
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| Formula |
C21H20N2O5
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| Molecular Weight |
380.4
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| Canonical SMILES |
COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1
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| InChI |
InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1
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| InChIKey |
GCUMDODJOAYRHG-NRFANRHFSA-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