General Information of the Compound
| Compound ID |
CP0428247
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| Compound Name |
2-((1-(3-(9H-carbazol-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 |
C33H31N3O4
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| Molecular Weight |
533.628
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| Canonical SMILES |
OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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| InChIKey |
LMZLCWZGOBCEDV-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