General Information of the Compound
| Compound ID |
CP0395767
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| Compound Name |
CHEMBL3965075
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| Formula |
C24H26F3N3O3
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| Molecular Weight |
461.484
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| Canonical SMILES |
CCOCc1ccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1
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| InChI |
InChI=1S/C24H26F3N3O3/c1-2-33-14-15-6-11-21-20(12-15)28-23(30(21)18-7-9-19(31)10-8-18)29-22(32)16-4-3-5-17(13-16)24(25,26)27/h3-6,11-13,18-19,31H,2,7-10,14H2,1H3,(H,28,29,32)/t18-,19-
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| InChIKey |
NDHWKINWBPLWGB-WGSAOQKQSA-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