General Information of the Compound
| Compound ID |
CP0503611
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| Compound Name |
US9216968, 124
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| Structure |
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| Formula |
C28H24ClF3N4O2
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| Molecular Weight |
540.973
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1CCCC1
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| InChI |
InChI=1S/C28H24ClF3N4O2/c1-15-21(29)11-6-12-22(15)35-27(38)19-13-17(14-23-24(19)36-25(34-23)16-7-2-3-8-16)33-26(37)18-9-4-5-10-20(18)28(30,31)32/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,37)(H,34,36)(H,35,38)
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| InChIKey |
CXRJHASYZPXNEG-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