General Information of the Compound
| Compound ID |
CP0204256
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| Compound Name |
(S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C16H23FN2O
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| Molecular Weight |
278.371
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| Canonical SMILES |
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C
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| InChI |
InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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| InChIKey |
NFOLOYSQMPQIMO-ZDUSSCGKSA-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