General Information of the Compound
| Compound ID |
CP0550504
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| Compound Name |
US8969325, 218
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| Structure |
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2cccc(c2O1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N3O3/c1-21(2)11-17(14-4-3-5-15(19(14)31-21)22(23,24)25)28-20(30)26-13-8-6-12-7-9-18(29)27-16(12)10-13/h3-6,8,10,17H,7,9,11H2,1-2H3,(H,27,29)(H2,26,28,30)/t17-/m1/s1
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| InChIKey |
YYMWDBVVFSVZED-QGZVFWFLSA-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