General Information of the Compound
| Compound ID |
CP0433653
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| Compound Name |
(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethenyl-N-ethylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C17H22N2O3
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| Molecular Weight |
302.374
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| Canonical SMILES |
CCN(C=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C17H22N2O3/c1-3-19(4-2)16(20)17(10-13(17)11-18)12-5-6-14-15(9-12)22-8-7-21-14/h3,5-6,9,13H,1,4,7-8,10-11,18H2,2H3/t13-,17+/m0/s1
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| InChIKey |
LYVNVEXOLQKXSZ-SUMWQHHRSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter