General Information of the Compound
| Compound ID |
CP0516944
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| Compound Name |
US9481682, 198
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| Structure |
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| Formula |
C28H25F4N7O2
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| Molecular Weight |
567.547
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| Canonical SMILES |
Cc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
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| InChI |
InChI=1S/C28H25F4N7O2/c1-14-10-19(27(41)36-21-11-16(6-7-34-21)28(30,31)32)20(29)12-18(14)23-24-25(33)35-8-9-38(24)26(37-23)15-2-3-17-4-5-22(40)39(17)13-15/h6-12,15,17H,2-5,13H2,1H3,(H2,33,35)(H,34,36,41)/t15-,17+/m1/s1
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| InChIKey |
JGEFMLZGVNPQOV-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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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