General Information of the Compound
| Compound ID |
CP0543722
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| Compound Name |
3-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C27H25ClN4O3
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| Molecular Weight |
488.975
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C27H25ClN4O3/c28-20-7-11-22(12-8-20)32-27(34)24-4-2-1-3-23(24)25(30-32)26(33)29-21-9-5-19(6-10-21)13-14-31-15-17-35-18-16-31/h1-12H,13-18H2,(H,29,33)
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| InChIKey |
XFURMSAITSZFAY-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay