General Information of the Compound
| Compound ID |
CP0506736
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| Compound Name |
US9216968, 85
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| Structure |
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| Formula |
C27H22ClF3N4O2
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| Molecular Weight |
526.946
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(C)CC1
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| InChI |
InChI=1S/C27H22ClF3N4O2/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
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| InChIKey |
RAZSQDWKHAEMFY-UHFFFAOYSA-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