General Information of the Compound
| Compound ID |
CP0556076
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| Compound Name |
US8614213, 19.100
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| Formula |
C22H22ClF3N6O
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| Molecular Weight |
478.906
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2nnnn2-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H22ClF3N6O/c23-19-11-8-15(22(24,25)26)12-18(19)20(33)28-16-9-6-14(7-10-16)13-27-21-29-30-31-32(21)17-4-2-1-3-5-17/h1-5,8,11-12,14,16H,6-7,9-10,13H2,(H,28,33)(H,27,29,31)/t14-,16-
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| InChIKey |
WABSPWAORLAVAZ-KOMQPUFPSA-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