General Information of the Compound
| Compound ID |
CP0415130
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| Compound Name |
(1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophen-3-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C14H20N2OS
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| Molecular Weight |
264.394
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| Canonical SMILES |
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
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| InChI |
InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1
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| InChIKey |
NYOJDMQJBPXCHG-GXTWGEPZSA-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: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00034, Transporter