General Information of the Compound
Compound ID |
CP0387637
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Compound Name |
US9481682, 42
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Structure |
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Formula |
C27H23ClF3N7O2
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Molecular Weight |
569.975
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Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)(F)F)c(Cl)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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InChI |
InChI=1S/C27H23ClF3N7O2/c28-19-11-14(2-5-18(19)26(40)35-20-12-16(7-8-33-20)27(29,30)31)22-23-24(32)34-9-10-37(23)25(36-22)15-1-3-17-4-6-21(39)38(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,32,34)(H,33,35,40)/t15-,17+/m1/s1
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InChIKey |
FVCOEWDYUFOTSK-WBVHZDCISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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