General Information of the Compound
| Compound ID |
CP0492993
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| Compound Name |
US9481682, 150
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| Structure |
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| Formula |
C29H27ClF4N8O3
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| Molecular Weight |
647.033
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| Canonical SMILES |
Cn1nc(NC(=O)c2cc(OC3CC3)c(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H27ClF4N8O3/c1-40-20(29(32,33)34)10-22(39-40)37-28(44)16-9-19(45-15-5-6-15)17(8-18(16)31)24-25-26(35)36-11-21(30)42(25)27(38-24)13-2-3-14-4-7-23(43)41(14)12-13/h8-11,13-15H,2-7,12H2,1H3,(H2,35,36)(H,37,39,44)/t13-,14+/m1/s1
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| InChIKey |
SDGFBTDLWWPFEK-KGLIPLIRSA-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