General Information of the Compound
| Compound ID |
CP0552496
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| Compound Name |
US9481682, 173
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| Structure |
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| Formula |
C25H22F3N7O3
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| Molecular Weight |
525.491
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(on3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C25H22F3N7O3/c26-25(27,28)17-11-18(33-38-17)31-24(37)14-3-1-13(2-4-14)20-21-22(29)30-9-10-34(21)23(32-20)15-5-6-16-7-8-19(36)35(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H,31,33,37)/t15-,16+/m1/s1
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| InChIKey |
GYRKJAMIFFPGAP-CVEARBPZSA-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