General Information of the Compound
| Compound ID |
CP0551704
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| Compound Name |
US9150546, I-255
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| Structure |
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| Formula |
C23H26ClN5O3
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| Molecular Weight |
455.946
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C23H26ClN5O3/c1-14(2)25-20(30)17-7-11-19(12-8-17)26-21-27-22(31)29(15(3)4)23(32)28(21)13-16-5-9-18(24)10-6-16/h5-12,14-15H,13H2,1-4H3,(H,25,30)(H,26,27,31)
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| InChIKey |
SIGZERSAIQXHMB-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