General Information of the Compound
| Compound ID |
CP0006571
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| Compound Name |
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(3-morpholinophenyl)piperazin-2-one
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc(c1)N1CCOCC1
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| InChI |
InChI=1S/C26H34N4O3/c31-25(18-27-9-8-21-4-1-2-5-22(21)17-27)19-30-11-10-29(20-26(30)32)24-7-3-6-23(16-24)28-12-14-33-15-13-28/h1-7,16,25,31H,8-15,17-20H2
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| InChIKey |
MPULRIJCRYYIQS-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