General Information of the Compound
| Compound ID |
CP0334860
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| Compound Name |
US9012461, 25
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| Structure |
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| Formula |
C26H29F3N6O
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| Molecular Weight |
498.553
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| Canonical SMILES |
NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(CN3CCNCC3)cc2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C26H29F3N6O/c27-26(28,29)22-16-32-25(33-21-8-5-18(6-9-21)17-35-13-11-31-12-14-35)34-23(22)10-7-19-3-1-2-4-20(19)15-24(30)36/h1-6,8-9,16,31H,7,10-15,17H2,(H2,30,36)(H,32,33,34)
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| InChIKey |
JMPGEXWVQNGSIV-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