General Information of the Compound
| Compound ID |
CP0530692
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| Compound Name |
US10028961, Compound 254
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| Structure |
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| Formula |
C23H19Br2F5N6
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| Molecular Weight |
634.245
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3cc(Br)cc(Br)c3C2)n1
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| InChI |
InChI=1S/C23H19Br2F5N6/c24-12-6-11-7-14(9-15(11)16(25)8-12)32-21-35-19(17-2-1-3-18(33-17)23(28,29)30)34-20(36-21)31-13-4-5-22(26,27)10-13/h1-3,6,8,13-14H,4-5,7,9-10H2,(H2,31,32,34,35,36)
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| InChIKey |
OLURZMKGUXLJTI-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