General Information of the Compound
| Compound ID |
CP0524438
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| Compound Name |
US9062070, 78
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| Structure |
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| Formula |
C26H26FN7O4
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| Molecular Weight |
519.537
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| Canonical SMILES |
Fc1c2CCOC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C26H26FN7O4/c27-24-17-7-10-37-26(36)19(17)1-2-20(24)22-12-32-8-9-33(11-15(32)13-38-22)25(35)18-3-5-21-16(18)4-6-23(29-21)34-14-28-30-31-34/h1-2,4,6,14-15,18,22H,3,5,7-13H2/t15-,18?,22-/m0/s1
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| InChIKey |
WRTPQTJWYSLXQR-YXHQUHRKSA-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