General Information of the Compound
| Compound ID |
CP0526154
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| Compound Name |
US9409915, 9
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| Structure |
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| Formula |
C22H20ClF3N5NaO
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| Molecular Weight |
485.873
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| Canonical SMILES |
COc1nc(cc2nc(-c3c(Cl)c(nn3C)C(C)(C)C)n([Na])c12)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H20ClF3N5O.Na/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26;/h6-10H,1-5H3;/q-1;+1
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| InChIKey |
DBHIOLAWQHKOOK-UHFFFAOYSA-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