General Information of the Compound
Compound ID |
CP0470660
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Compound Name |
US9481682, 171
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Structure |
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Formula |
C26H25F3N8O2
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Molecular Weight |
538.534
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Canonical SMILES |
Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F
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InChI |
InChI=1S/C26H25F3N8O2/c1-35-18(26(27,28)29)12-19(34-35)32-25(39)15-4-2-14(3-5-15)21-22-23(30)31-10-11-36(22)24(33-21)16-6-7-17-8-9-20(38)37(17)13-16/h2-5,10-12,16-17H,6-9,13H2,1H3,(H2,30,31)(H,32,34,39)/t16-,17+/m1/s1
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InChIKey |
FOQUTLLEYYHDNO-SJORKVTESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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