General Information of the Compound
| Compound ID |
CP0378038
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| Compound Name |
N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-2-oxochromene-3-carboxamide
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| Structure |
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| Formula |
C26H28N4O5
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| Molecular Weight |
476.533
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc5ccccc5oc4=O)CC3)c2c1
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| InChI |
InChI=1S/C26H28N4O5/c1-33-19-8-9-23-20(17-19)24(28-35-23)30-14-12-29(13-15-30)11-5-4-10-27-25(31)21-16-18-6-2-3-7-22(18)34-26(21)32/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,27,31)
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| InChIKey |
HNQJFNMZAOAKHB-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