General Information of the Compound
| Compound ID |
CP0927501
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| Compound Name |
rac-6-(3,4-dichlorophenyl)-N-(prop-1-ynyl)-3-azabicyclo[4.1.0]heptane-1-carboxamide
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| Structure |
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| Formula |
C16H16Cl2N2O
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| Molecular Weight |
323.223
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| Canonical SMILES |
CC#CNC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2
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| InChI |
InChI=1S/C16H16Cl2N2O/c1-2-6-20-14(21)16-9-15(16,5-7-19-10-16)11-3-4-12(17)13(18)8-11/h3-4,8,19H,5,7,9-10H2,1H3,(H,20,21)/t15-,16-/m1/s1
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| InChIKey |
QUJMNYWULZSJDX-HZPDHXFCSA-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