General Information of the Compound
| Compound ID |
CP0198910
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| Compound Name |
(R)-N-(cyclobutylmethyl)-2-(methylthio)-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C17H24N2OS
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| Molecular Weight |
304.459
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| Canonical SMILES |
CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1
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| InChI |
InChI=1S/C17H24N2OS/c1-21-16-8-3-2-7-15(16)17(20)19(12-13-5-4-6-13)14-9-10-18-11-14/h2-3,7-8,13-14,18H,4-6,9-12H2,1H3/t14-/m1/s1
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| InChIKey |
MQFMYYCALRUDSV-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter