General Information of the Compound
| Compound ID |
CP0428246
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| Compound Name |
2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C29H29N3O4
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| Molecular Weight |
483.568
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| Canonical SMILES |
OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2
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| InChIKey |
NQDCUSHIGOVWHZ-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor