General Information of the Compound
| Compound ID |
CP0490533
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| Compound Name |
(1S,2R)-2-(aminomethyl)-N-prop-2-enyl-N-prop-2-ynyl-1-thiophen-3-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C15H18N2OS
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| Molecular Weight |
274.389
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| Canonical SMILES |
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccsc1
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| InChI |
InChI=1S/C15H18N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h1,4-5,8,11,13H,2,6-7,9-10,16H2/t13-,15+/m0/s1
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| InChIKey |
OMTGXKFSSPIPRK-DZGCQCFKSA-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