General Information of the Compound
| Compound ID |
CP0197252
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| Compound Name |
[(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
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| Structure |
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| Formula |
C23H29N2O2+
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| Molecular Weight |
365.497
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| Canonical SMILES |
Cc1cc(C)cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)[N+](C)(C)C)c1
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| InChI |
InChI=1S/C23H29N2O2/c1-16-10-17(2)12-18(11-16)15-27-23(26)22(25(3,4)5)13-19-14-24-21-9-7-6-8-20(19)21/h6-12,14,22,24H,13,15H2,1-5H3/q+1/t22-/m0/s1
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| InChIKey |
QEQMAEXQVGXASS-QFIPXVFZSA-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