General Information of the Compound
| Compound ID |
CP0503996
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| Compound Name |
US9012651, 130
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| Structure |
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| Formula |
C26H22F4N4O2
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| Molecular Weight |
498.48
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| Canonical SMILES |
C[C@@H](O)[C@H](Nc1ccc2ccccc2c1)C(=O)NCc1ccc(F)c(n1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F4N4O2/c1-15(35)23(33-19-8-6-16-4-2-3-5-17(16)12-19)25(36)32-14-20-9-10-21(27)24(34-20)18-7-11-22(31-13-18)26(28,29)30/h2-13,15,23,33,35H,14H2,1H3,(H,32,36)/t15-,23+/m1/s1
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| InChIKey |
WWKAVURXLJBXRH-CMJOXMDJSA-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