General Information of the Compound
| Compound ID |
CP0166298
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| Compound Name |
(S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C16H16Cl2N2O2
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| Molecular Weight |
339.222
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| Canonical SMILES |
Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl
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| InChI |
InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1
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| InChIKey |
AUYQRPCINYAISL-LBPRGKRZSA-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