General Information of the Compound
| Compound ID |
CP0559416
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| Compound Name |
US9216968, 154
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| Structure |
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| Formula |
C30H32ClF3N6O2
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| Molecular Weight |
601.073
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| Canonical SMILES |
CN(C)CC(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/C30H32ClF3N6O2/c1-17-22(31)11-8-12-23(17)37-27(42)20-13-18(36-26(41)19-9-6-7-10-21(19)30(32,33)34)14-24-25(20)39-28(38-24)35-15-29(2,3)16-40(4)5/h6-14H,15-16H2,1-5H3,(H,36,41)(H,37,42)(H2,35,38,39)
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| InChIKey |
XYAOFSUISFBGBS-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