General Information of the Compound
| Compound ID |
CP0553427
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| Compound Name |
US9422293, 133
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| Structure |
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| Formula |
C28H33F3N6
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| Molecular Weight |
510.608
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)N2CCCCC2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C28H33F3N6/c1-19(2)25-34-24-13-18-37(27-23(28(29,30)31)7-6-14-32-27)17-12-22(24)26(35-25)33-20-8-10-21(11-9-20)36-15-4-3-5-16-36/h6-11,14,19H,3-5,12-13,15-18H2,1-2H3,(H,33,34,35)
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| InChIKey |
JYOKLXJCQLUWER-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