General Information of the Compound
| Compound ID |
CP0521742
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| Compound Name |
N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
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| Structure |
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| Formula |
C26H30N6O4
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| Molecular Weight |
490.564
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(c4)-c4noc(C)n4)CC3)c2c1
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| InChI |
InChI=1S/C26H30N6O4/c1-18-28-24(29-35-18)19-6-5-7-20(16-19)26(33)27-10-3-4-11-31-12-14-32(15-13-31)25-22-17-21(34-2)8-9-23(22)36-30-25/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,27,33)
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| InChIKey |
ZPVPYUKSPMCCQN-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