General Information of the Compound
| Compound ID |
CP0487849
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| Compound Name |
US10806720, Compound 1010
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| Structure |
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| Formula |
C22H17F4N3O2
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| Molecular Weight |
431.389
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| Canonical SMILES |
C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
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| InChIKey |
XQVIEWAJAYEUKX-NRFANRHFSA-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