General Information of the Compound
| Compound ID |
CP0176715
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| Compound Name |
CHEMBL4868339
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| Formula |
C24H27FN2O2
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| Molecular Weight |
394.49
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| Canonical SMILES |
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ccc2c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H27FN2O2/c1-24(2,29)18-7-9-20(10-8-18)26-23(28)17-6-11-22-16(14-17)12-13-27(22)21-5-3-4-19(25)15-21/h3-6,11-15,18,20,29H,7-10H2,1-2H3,(H,26,28)/t18-,20-
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| InChIKey |
SKTKLIHVFFYOMX-KESTWPANSA-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