General Information of the Compound
| Compound ID |
CP0401110
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| Compound Name |
5-hydroxy-8-[2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
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| InChI |
InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
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| InChIKey |
XFQRGEPJIICUBL-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor