General Information of the Compound
| Compound ID |
CP0536945
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| Compound Name |
US9481682, 133
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| Structure |
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| Formula |
C29H26ClF4N7O3
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| Molecular Weight |
632.018
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| Canonical SMILES |
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
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| InChI |
InChI=1S/C29H26ClF4N7O3/c1-2-44-20-11-17(28(43)38-22-9-15(7-8-36-22)29(32,33)34)19(31)10-18(20)24-25-26(35)37-12-21(30)41(25)27(39-24)14-3-4-16-5-6-23(42)40(16)13-14/h7-12,14,16H,2-6,13H2,1H3,(H2,35,37)(H,36,38,43)/t14-,16+/m1/s1
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| InChIKey |
TZUPCGSSZFUCPC-ZBFHGGJFSA-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