General Information of the Compound
| Compound ID |
CP0868821
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| Compound Name |
US9187424, 277
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| Structure |
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| Formula |
C27H24F7N5O2
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| Molecular Weight |
583.508
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc(CC3CC3)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C27H24F7N5O2/c28-21-13-18(41-11-1-10-26(29,30)31)8-9-20(21)25(27(32,33)34)14-19(22(24(40)35-25)23-36-38-39-37-23)17-6-4-16(5-7-17)12-15-2-3-15/h4-9,13,15H,1-3,10-12,14H2,(H,35,40)(H,36,37,38,39)
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| InChIKey |
GEWKPINLBDKPSP-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