General Information of the Compound
| Compound ID |
CP0862893
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| Compound Name |
4-Oxo-4H-chromene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide oxalic acid
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| Structure |
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| Formula |
C27H31N3O8
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| Molecular Weight |
525.558
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H29N3O4.C2H2O4/c1-31-23-11-5-3-9-21(23)28-16-14-27(15-17-28)13-7-6-12-26-25(30)20-18-32-22-10-4-2-8-19(22)24(20)29;3-1(4)2(5)6/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,26,30);(H,3,4)(H,5,6)
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| InChIKey |
RHYVDKFQIKMMKR-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