General Information of the Compound
| Compound ID |
CP0317479
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| Compound Name |
US10806720, Compound 1035
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| Structure |
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| Formula |
C17H15F3N4O3
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| Molecular Weight |
380.326
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| Canonical SMILES |
CC(=O)c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C17H15F3N4O3/c1-10(25)12-7-22-24(8-12)9-16(2,27)15(26)23-13-4-3-11(6-21)14(5-13)17(18,19)20/h3-5,7-8,27H,9H2,1-2H3,(H,23,26)/t16-/m0/s1
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| InChIKey |
VXHGUKXNONEMAB-INIZCTEOSA-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