General Information of the Compound
| Compound ID |
CP0433257
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| Compound Name |
5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C19H27FN2O2
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| Molecular Weight |
334.435
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| Canonical SMILES |
COc1ccc(CCCF)cc1C(=O)NC[C@@H]1CCCN1CC=C
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| InChI |
InChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
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| InChIKey |
VPBJNBUDASILSQ-INIZCTEOSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor