General Information of the Compound
| Compound ID |
CP0446659
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| Compound Name |
N-[(Z)-[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-(2-methylanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C31H24N6O4
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| Molecular Weight |
544.571
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| Canonical SMILES |
Cc1ccccc1NC(=O)C(\Cc1nc2ccc(cc2nc1O)C(=O)c1ccccc1)=N/NC(=O)c1ccncc1
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| InChI |
InChI=1S/C31H24N6O4/c1-19-7-5-6-10-23(19)34-31(41)27(36-37-29(39)21-13-15-32-16-14-21)18-26-30(40)35-25-17-22(11-12-24(25)33-26)28(38)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,34,41)(H,35,40)(H,37,39)/b36-27-
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| InChIKey |
LNNMSRHXGYZWKM-RLANJUCJSA-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