General Information of the Compound
| Compound ID |
CP0456021
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| Compound Name |
US9216968, 163
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| Structure |
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| Formula |
C29H29ClF3N5O3
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| Molecular Weight |
588.03
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| Canonical SMILES |
COCC(C)(C)CNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C29H29ClF3N5O3/c1-16-21(30)10-7-11-22(16)36-26(40)19-12-17(35-25(39)18-8-5-6-9-20(18)29(31,32)33)13-23-24(19)38-27(37-23)34-14-28(2,3)15-41-4/h5-13H,14-15H2,1-4H3,(H,35,39)(H,36,40)(H2,34,37,38)
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| InChIKey |
HWICICCXOMVWCB-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