General Information of the Compound
| Compound ID |
CP0891094
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| Compound Name |
7-(4-(4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one oxalate
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| Structure |
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| Formula |
C27H31ClN4O7
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| Molecular Weight |
559.019
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1CCc2ccc(OCCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)cc2N1
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| InChI |
InChI=1S/C25H29ClN4O3.C2H2O4/c26-18-5-7-23-22(15-18)28-25(32)30(23)19-9-12-29(13-10-19)11-1-2-14-33-20-6-3-17-4-8-24(31)27-21(17)16-20;3-1(4)2(5)6/h3,5-7,15-16,19H,1-2,4,8-14H2,(H,27,31)(H,28,32);(H,3,4)(H,5,6)
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| InChIKey |
IGTGIWKFSOWMLW-UHFFFAOYSA-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