General Information of the Compound
| Compound ID |
CP0928202
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| Compound Name |
4-((1H-indol-3-yl)(pyridin-2-yl)methyl)phenyl acetate
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| Formula |
C22H18N2O2
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| Molecular Weight |
342.398
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| Canonical SMILES |
CC(=O)Oc1ccc(C(c2ccccn2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C22H18N2O2/c1-15(25)26-17-11-9-16(10-12-17)22(21-8-4-5-13-23-21)19-14-24-20-7-3-2-6-18(19)20/h2-14,22,24H,1H3
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| InChIKey |
LIOPGIKYQXVUPS-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