General Information of the Compound
| Compound ID |
CP0576510
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| Compound Name |
3-(4-chlorophenyl)-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C32H27ClN4O2
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| Molecular Weight |
535.047
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc(C(=O)Nc2ccc(CCN3CCc4ccccc4C3)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C32H27ClN4O2/c33-25-11-15-27(16-12-25)37-32(39)29-8-4-3-7-28(29)30(35-37)31(38)34-26-13-9-22(10-14-26)17-19-36-20-18-23-5-1-2-6-24(23)21-36/h1-16H,17-21H2,(H,34,38)
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| InChIKey |
ZVQYERDUACENEO-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