General Information of the Compound
| Compound ID |
CP0552119
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| Compound Name |
US10806720, Compound 1055
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| Structure |
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| Formula |
C16H15F3N4O2
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| Molecular Weight |
352.316
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| Canonical SMILES |
Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C16H15F3N4O2/c1-10-7-21-23(8-10)9-15(2,25)14(24)22-12-4-3-11(6-20)13(5-12)16(17,18)19/h3-5,7-8,25H,9H2,1-2H3,(H,22,24)/t15-/m0/s1
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| InChIKey |
YLAKUYJASUOHOV-HNNXBMFYSA-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