General Information of the Compound
| Compound ID |
CP0413235
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| Compound Name |
US9200001, 132
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| Structure |
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| Formula |
C22H22F2N8
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| Molecular Weight |
436.47
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)N1CC(F)(F)C1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H22F2N8/c1-12-25-13(2)32(29-12)19-9-17(27-21(28-19)31-10-22(23,24)11-31)14-8-15(14)20-26-16-6-4-5-7-18(16)30(20)3/h4-7,9,14-15H,8,10-11H2,1-3H3/t14-,15-/m1/s1
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| InChIKey |
ZGPPSLPFJFUBME-HUUCEWRRSA-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