General Information of the Compound
| Compound ID |
CP0200216
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| Compound Name |
CHEMBL218358
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| Formula |
C22H28F4N4O
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| Molecular Weight |
440.485
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@@](F)(C4)C3)CC1
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| InChI |
InChI=1S/C22H28F4N4O/c23-21-9-14-7-15(10-21)20(16(8-14)11-21)28-19(31)13-29-3-5-30(6-4-29)18-2-1-17(12-27-18)22(24,25)26/h1-2,12,14-16,20H,3-11,13H2,(H,28,31)/t14?,15?,16?,20-,21+
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| InChIKey |
RUBWTVFAHWBQIP-JXJPVIIGSA-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