General Information of the Compound
| Compound ID |
CP0518494
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| Compound Name |
US9296734, 122
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| Structure |
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| Formula |
C19H22F6N4O2
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| Molecular Weight |
452.399
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| Canonical SMILES |
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)C(F)F)ccc1F
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| InChI |
InChI=1S/C19H22F6N4O2/c1-18(9-14(19(23,24)25)31-16(26)28-18)12-8-11(2-3-13(12)20)27-17(30)29-6-4-10(5-7-29)15(21)22/h2-3,8,10,14-15H,4-7,9H2,1H3,(H2,26,28)(H,27,30)/t14-,18-/m0/s1
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| InChIKey |
VXTHXAFTWHFRJL-KSSFIOAISA-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