General Information of the Compound
| Compound ID |
CP0003282
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| Compound Name |
(3′-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)-[1,1′-biphenyl]-3-yl)(morpholino)methanone
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| Structure |
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| Formula |
C29H32N2O4
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| Molecular Weight |
472.585
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cccc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H32N2O4/c32-27(20-30-12-11-22-5-1-2-6-26(22)19-30)21-35-28-10-4-8-24(18-28)23-7-3-9-25(17-23)29(33)31-13-15-34-16-14-31/h1-10,17-18,27,32H,11-16,19-21H2
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| InChIKey |
JKTHKTFPQTWFNL-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