General Information of the Compound
| Compound ID |
CP0466002
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| Compound Name |
US9481682, 119
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| Structure |
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| Formula |
C26H23F3N8O2
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| Molecular Weight |
536.518
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(nc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C26H23F3N8O2/c27-26(28,29)16-7-8-31-19(11-16)34-25(39)18-5-2-14(12-33-18)21-22-23(30)32-9-10-36(22)24(35-21)15-1-3-17-4-6-20(38)37(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,30,32)(H,31,34,39)/t15-,17+/m1/s1
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| InChIKey |
DSNAUMFFSOEWAO-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