General Information of the Compound
| Compound ID |
CP0383846
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| Compound Name |
(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C14H18N2OS
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| Molecular Weight |
262.378
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| Canonical SMILES |
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1
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| InChI |
InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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| InChIKey |
DBDIPFBJGDKNIO-FZMZJTMJSA-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: PT01487, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT00034, Transporter