General Information of the Compound
| Compound ID |
CP0479027
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| Compound Name |
(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
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| Structure |
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| Formula |
C17H18N2OS
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| Molecular Weight |
298.411
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| Canonical SMILES |
CNCC[C@H](c1ccccc1)n1c2ccccc2sc1=O
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| InChI |
InChI=1S/C17H18N2OS/c1-18-12-11-14(13-7-3-2-4-8-13)19-15-9-5-6-10-16(15)21-17(19)20/h2-10,14,18H,11-12H2,1H3/t14-/m1/s1
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| InChIKey |
GBPYXOBRYGPNKY-CQSZACIVSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter