General Information of the Compound
| Compound ID |
CP0142132
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| Compound Name |
US9085576, 180
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| Structure |
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| Formula |
C19H16F4N4O3
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| Molecular Weight |
424.354
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C19H16F4N4O3/c20-8-29-10-2-4-14(25-7-10)16(28)26-9-1-3-13(21)11(5-9)19(17(22)23)12-6-15(12)30-18(24)27-19/h1-5,7,12,15,17H,6,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1
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| InChIKey |
BXUQSRLUYWAIIQ-IOHHAYIISA-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