General Information of the Compound
| Compound ID |
CP0441075
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| Compound Name |
US10336717, Compound 48
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| Structure |
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| Formula |
C27H22F2N4O
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| Molecular Weight |
456.496
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-12-18(17-4-2-3-16(11-17)15-30)5-6-20(22)14-26(27)10-9-21-19(13-26)7-8-23(28)24(21)29/h2-8,11-12H,9-10,13-14H2,1H3,(H2,31,32)
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| InChIKey |
KQDPKNUNVTZZFR-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