General Information of the Compound
| Compound ID |
CP0419656
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| Compound Name |
US9409915, 95
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| Structure |
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| Formula |
C20H18ClF3N6
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| Molecular Weight |
434.853
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2nc(cnc2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C20H18ClF3N6/c1-19(2,3)15-13(21)14(30(4)29-15)16-27-17-18(28-16)26-12(9-25-17)10-7-5-6-8-11(10)20(22,23)24/h5-9H,1-4H3,(H,25,26,27,28)
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| InChIKey |
TUUJSGBACYXPNR-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