General Information of the Compound
| Compound ID |
CP0554742
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| Compound Name |
US9150546, I-365
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| Structure |
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| Formula |
C23H26ClFN4O4
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| Molecular Weight |
476.936
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(CCCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C23H26ClFN4O4/c1-15(2)33-20-10-9-18(13-19(20)25)26-21-27-22(31)28(11-3-4-12-30)23(32)29(21)14-16-5-7-17(24)8-6-16/h5-10,13,15,30H,3-4,11-12,14H2,1-2H3,(H,26,27,31)
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| InChIKey |
WIVQLHRBUYZELM-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