General Information of the Compound
| Compound ID |
CP0492950
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| Compound Name |
US9481682, 76
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| Structure |
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| Formula |
C25H20F3N7O4
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| Molecular Weight |
539.474
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@@H](COC2=O)CO1
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| InChI |
InChI=1S/C25H20F3N7O4/c26-25(27,28)15-5-6-30-18(9-15)32-23(36)14-3-1-13(2-4-14)19-20-21(29)31-7-8-34(20)22(33-19)17-10-35-16(11-38-17)12-39-24(35)37/h1-9,16-17H,10-12H2,(H2,29,31)(H,30,32,36)/t16-,17-/m1/s1
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| InChIKey |
GRZIDHDGMWINAQ-IAGOWNOFSA-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