General Information of the Compound
| Compound ID |
CP0517335
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| Compound Name |
US9481682, 71
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| Structure |
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| Formula |
C28H24F5N7O3
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| Molecular Weight |
601.536
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OC(F)F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C28H24F5N7O3/c29-27(30)43-19-11-14(26(42)37-20-12-16(7-8-35-20)28(31,32)33)2-5-18(19)22-23-24(34)36-9-10-39(23)25(38-22)15-1-3-17-4-6-21(41)40(17)13-15/h2,5,7-12,15,17,27H,1,3-4,6,13H2,(H2,34,36)(H,35,37,42)/t15-,17+/m1/s1
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| InChIKey |
WTYKJANTYBGATM-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