General Information of the Compound
| Compound ID |
CP0006566
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| Compound Name |
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(5-morpholinopyridin-3-yl)piperazin-2-one
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| Structure |
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| Formula |
C25H33N5O3
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| Molecular Weight |
451.571
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| Canonical SMILES |
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cncc(c1)N1CCOCC1
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| InChI |
InChI=1S/C25H33N5O3/c31-24(17-27-6-5-20-3-1-2-4-21(20)16-27)18-30-8-7-29(19-25(30)32)23-13-22(14-26-15-23)28-9-11-33-12-10-28/h1-4,13-15,24,31H,5-12,16-19H2
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| InChIKey |
VFLHMOPASHPIIX-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