General Information of the Compound
| Compound ID |
CP0264698
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| Compound Name |
CHEMBL4289707
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| Formula |
C26H31F3N6O2
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| Molecular Weight |
516.568
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| Canonical SMILES |
OCCN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
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| InChI |
InChI=1S/C26H31F3N6O2/c27-26(28,29)37-21-4-2-1-3-17(21)13-32-24-33-14-20(12-30)23(35-24)34-15-25-9-16-7-18(10-25)22(31-5-6-36)19(8-16)11-25/h1-4,14,16,18-19,22,31,36H,5-11,13,15H2,(H2,32,33,34,35)/t16-,18-,19+,22-,25-
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| InChIKey |
CIVFNZIOXQANAM-JSKUAUQASA-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