General Information of the Compound
| Compound ID |
CP0413489
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| Compound Name |
US9216968, 68
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| Structure |
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| Formula |
C28H23ClF3N5O3
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| Molecular Weight |
569.971
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| Canonical SMILES |
CC(=O)N1CC(C1)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C28H23ClF3N5O3/c1-14-21(29)8-5-9-22(14)35-27(40)19-10-17(33-26(39)18-6-3-4-7-20(18)28(30,31)32)11-23-24(19)36-25(34-23)16-12-37(13-16)15(2)38/h3-11,16H,12-13H2,1-2H3,(H,33,39)(H,34,36)(H,35,40)
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| InChIKey |
NXHWBDQNMKFQMB-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