General Information of the Compound
| Compound ID |
CP0360609
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| Compound Name |
CHEMBL4283768
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| Formula |
C24H27F3N6O
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| Molecular Weight |
472.515
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| Canonical SMILES |
N[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/C24H27F3N6O/c25-24(26,27)34-19-4-2-1-3-15(19)11-30-22-31-12-18(10-28)21(33-22)32-13-23-7-14-5-16(8-23)20(29)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,29H2,(H2,30,31,32,33)/t14-,16-,17+,20-,23-
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| InChIKey |
LIRWJKQRVLNGHR-PTRWISQFSA-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