General Information of the Compound
Compound ID |
CP0507363
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Compound Name |
US9481682, 151
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Structure |
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Formula |
C29H27F4N7O3
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Molecular Weight |
597.573
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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)n2ccnc(N)c12
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InChI |
InChI=1S/C29H27F4N7O3/c1-2-43-21-13-18(28(42)37-22-11-16(7-8-35-22)29(31,32)33)20(30)12-19(21)24-25-26(34)36-9-10-39(25)27(38-24)15-3-4-17-5-6-23(41)40(17)14-15/h7-13,15,17H,2-6,14H2,1H3,(H2,34,36)(H,35,37,42)/t15-,17+/m1/s1
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InChIKey |
VUOGTHSQQWAQIP-WBVHZDCISA-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