General Information of the Compound
| Compound ID |
CP0007205
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| Compound Name |
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(quinolin-8-yl)piperazin-2-one
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| Structure |
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| Formula |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C25H28N4O2/c30-22(16-27-12-10-19-5-1-2-6-21(19)15-27)17-29-14-13-28(18-24(29)31)23-9-3-7-20-8-4-11-26-25(20)23/h1-9,11,22,30H,10,12-18H2
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| InChIKey |
JBBUNYHTLRNBRT-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