General Information of the Compound
| Compound ID |
CP0538884
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| Compound Name |
US9126947, 13
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| Structure |
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| Formula |
C27H27Cl2FN6O3
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| Molecular Weight |
573.456
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| Canonical SMILES |
C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN2CCCC2C1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C27H27Cl2FN6O3/c1-15(23-19(28)8-9-20(30)24(23)29)39-22-13-21(33-34-25(22)31)26(37)32-17-6-4-16(5-7-17)27(38)36-12-11-35-10-2-3-18(35)14-36/h4-9,13,15,18H,2-3,10-12,14H2,1H3,(H2,31,34)(H,32,37)/t15-,18?/m1/s1
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| InChIKey |
UVWOOYAWHQBILO-NNJIEVJOSA-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