General Information of the Compound
| Compound ID |
CP0428315
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| Compound Name |
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(azepin-1-yl)-2-phenylpropanoate
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| Structure |
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| Formula |
C22H29N2O2+
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| Molecular Weight |
353.486
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| Canonical SMILES |
CC(N1C=CC=CC=C1)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C22H29N2O2/c1-22(19-11-7-6-8-12-19,23-15-9-4-5-10-16-23)21(25)26-20-13-17-24(2,3)18-14-20/h4-12,15-16,20H,13-14,17-18H2,1-3H3/q+1
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| InChIKey |
WMBPTNZBPGXZAR-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