General Information of the Compound
| Compound ID |
CP0479747
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| Compound Name |
US9409915, 5
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| Structure |
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| Formula |
C21H17Cl2F3N5Na
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| Molecular Weight |
490.292
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2nc(cc(Cl)c2n1[Na])-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C21H17Cl2F3N5.Na/c1-20(2,3)17-14(23)16(31(4)30-17)19-28-15-12(22)9-13(27-18(15)29-19)10-7-5-6-8-11(10)21(24,25)26;/h5-9H,1-4H3;/q-1;+1
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| InChIKey |
HMGQLJSMNFOJHM-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