General Information of the Compound
| Compound ID |
CP0494189
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| Compound Name |
4-Acryloylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide
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| Structure |
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| Formula |
C22H24ClN3O3
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| Molecular Weight |
413.905
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| Canonical SMILES |
COc1cc(NC(=O)C=C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1
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| InChIKey |
WUDCFECOHMKQLS-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor