General Information of the Compound
| Compound ID |
CP0552056
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| Compound Name |
US10806720, Compound 1003
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| Structure |
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| Formula |
C21H17F3N4O2
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| Molecular Weight |
414.387
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| Canonical SMILES |
C[C@](O)(Cn1cc(cn1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N4O2/c1-20(30,13-28-12-16(11-26-28)14-5-3-2-4-6-14)19(29)27-17-8-7-15(10-25)18(9-17)21(22,23)24/h2-9,11-12,30H,13H2,1H3,(H,27,29)/t20-/m0/s1
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| InChIKey |
ATWBZWKEXKJVIW-FQEVSTJZSA-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