General Information of the Compound
| Compound ID |
CP0569476
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| Compound Name |
US8975261, SS1
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| Structure |
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| Formula |
C20H24F2N4O2
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| Molecular Weight |
390.434
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1CN1CCC(F)(F)C1
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| InChI |
InChI=1S/C20H24F2N4O2/c1-13-23-8-15(10-26-6-5-20(21,22)12-26)19(25-13)28-11-14-7-17(14)18-4-3-16(27-2)9-24-18/h3-4,8-9,14,17H,5-7,10-12H2,1-2H3/t14-,17+/m1/s1
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| InChIKey |
KBDHBQFXPCRQDT-PBHICJAKSA-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