General Information of the Compound
| Compound ID |
CP0510890
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| Compound Name |
(1S,2R)-2-(aminomethyl)-N-(2-fluoroprop-2-enyl)-N-methyl-1-thiophen-3-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C13H17FN2OS
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| Molecular Weight |
268.357
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| Canonical SMILES |
CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
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| InChI |
InChI=1S/C13H17FN2OS/c1-9(14)7-16(2)12(17)13(5-11(13)6-15)10-3-4-18-8-10/h3-4,8,11H,1,5-7,15H2,2H3/t11-,13+/m0/s1
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| InChIKey |
CMSMRUGCRICBLQ-WCQYABFASA-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