General Information of the Compound
| Compound ID |
CP0560914
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| Compound Name |
US10806720, Compound 1032
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| Structure |
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| Formula |
C17H15ClF3N5O3
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| Molecular Weight |
429.786
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| Canonical SMILES |
C[C@@](Cn1cc(N)cn1)(OC(=O)CCl)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H15ClF3N5O3/c1-16(29-14(27)5-18,9-26-8-11(23)7-24-26)15(28)25-12-3-2-10(6-22)13(4-12)17(19,20)21/h2-4,7-8H,5,9,23H2,1H3,(H,25,28)/t16-/m0/s1
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| InChIKey |
PAUOEWJGEANLQY-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