General Information of the Compound
| Compound ID |
CP0530376
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| Compound Name |
US9181249, 83
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| Structure |
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| Formula |
C25H34F2N6O2
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| Molecular Weight |
488.583
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| Canonical SMILES |
CC(C)Nc1nc2C(C)CN(Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
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| InChI |
InChI=1S/C25H34F2N6O2/c1-15(2)28-23-24(29-20-14-33(25(34)31(4)5)13-16(3)22(20)30-23)32-10-8-18(9-11-32)35-21-7-6-17(26)12-19(21)27/h6-7,12,15-16,18H,8-11,13-14H2,1-5H3,(H,28,30)
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| InChIKey |
YYXWLSPXBILPQX-UHFFFAOYSA-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