General Information of the Compound
| Compound ID |
CP0548952
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| Compound Name |
US9409915, 74
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| Structure |
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| Formula |
C21H19ClF3N5
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| Molecular Weight |
433.865
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| Canonical SMILES |
Cn1nc(cc1-c1nc2cc(nc(Cl)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C21H19ClF3N5/c1-20(2,3)16-10-15(30(4)29-16)19-27-14-9-13(26-18(22)17(14)28-19)11-7-5-6-8-12(11)21(23,24)25/h5-10H,1-4H3,(H,27,28)
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| InChIKey |
NYVHZZCSHHPKFU-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