General Information of the Compound
| Compound ID |
CP0383845
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| Compound Name |
(1R,2R)-2-(aminomethyl)-N-prop-2-enyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C16H19N3OS2
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| Molecular Weight |
333.482
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| Canonical SMILES |
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1
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| InChI |
InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1
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| InChIKey |
JOHKRZVJVWMMNT-LRDDRELGSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter