General Information of the Compound
| Compound ID |
CP0459161
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| Compound Name |
CHEMBL4250481
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| Formula |
C23H22F3N3O2S
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| Molecular Weight |
461.509
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| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccn2)nc1
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| InChI |
InChI=1S/C23H22F3N3O2S/c24-23(25,26)17-6-13-22(28-15-17)29-18-7-11-20(12-8-18)32(30,31)19-9-4-16(5-10-19)21-3-1-2-14-27-21/h1-6,9-10,13-15,18,20H,7-8,11-12H2,(H,28,29)/t18-,20-
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| InChIKey |
WWACFNGAFOBLGI-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