General Information of the Compound
| Compound ID |
CP0569452
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| Compound Name |
US10806720, Compound 1005
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| Structure |
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| Formula |
C15H12BrF3N4O2
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| Molecular Weight |
417.185
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| Canonical SMILES |
C[C@](O)(Cn1cncc1Br)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H12BrF3N4O2/c1-14(25,7-23-8-21-6-12(23)16)13(24)22-10-3-2-9(5-20)11(4-10)15(17,18)19/h2-4,6,8,25H,7H2,1H3,(H,22,24)/t14-/m0/s1
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| InChIKey |
IHDLBAQVJIXGKH-AWEZNQCLSA-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