General Information of the Compound
| Compound ID |
CP0870009
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| Compound Name |
(2H-Benzo[1,4]oxazin-3-yl)-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amine; compound with but-2-enedioic acid
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| Structure |
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| Formula |
C26H32N4O6
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| Molecular Weight |
496.564
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC2=Nc3ccccc3OC2)CC1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C22H28N4O2.C4H4O4/c1-27-21-10-5-3-8-19(21)26-15-13-25(14-16-26)12-6-11-23-22-17-28-20-9-4-2-7-18(20)24-22;5-3(6)1-2-4(7)8/h2-5,7-10H,6,11-17H2,1H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
AEHHITPXKWKWPS-WLHGVMLRSA-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