General Information of the Compound
| Compound ID |
CP0043150
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| Compound Name |
US8680275, 196
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| Structure |
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| Formula |
C25H22F4N4O2
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| Molecular Weight |
486.469
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| Canonical SMILES |
FC(F)C(F)(F)Oc1ccccc1C(=O)N1CC[C@H]2CN([C@H]2C1)c1ccnc(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H22F4N4O2/c26-24(27)25(28,29)35-20-9-5-4-8-18(20)23(34)32-13-11-17-14-33(19(17)15-32)21-10-12-30-22(31-21)16-6-2-1-3-7-16/h1-10,12,17,19,24H,11,13-15H2/t17-,19-/m0/s1
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| InChIKey |
DSJBLNQBTFEBSJ-HKUYNNGSSA-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