General Information of the Compound
| Compound ID |
CP0553618
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| Compound Name |
US10028961, Compound 314
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| Structure |
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| Formula |
C20H23ClF4N6
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| Molecular Weight |
458.891
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| Canonical SMILES |
FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cc(Cl)ccn1
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| InChI |
InChI=1S/C20H23ClF4N6/c21-12-5-10-26-15(11-12)16-29-17(27-13-1-6-19(22,23)7-2-13)31-18(30-16)28-14-3-8-20(24,25)9-4-14/h5,10-11,13-14H,1-4,6-9H2,(H2,27,28,29,30,31)
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| InChIKey |
LSGOKKOWCOIAGR-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