General Information of the Compound
| Compound ID |
CP0516945
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| Compound Name |
US9481682, 215
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| Structure |
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| Formula |
C29H28F6N8O3
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| Molecular Weight |
650.584
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| Canonical SMILES |
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(n(C)n1)C(F)(F)F
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| InChI |
InChI=1S/C29H28F6N8O3/c1-3-46-18-10-14(27(45)38-21-11-19(28(30,31)32)41(2)40-21)5-8-17(18)23-24-25(36)37-12-20(29(33,34)35)43(24)26(39-23)15-4-6-16-7-9-22(44)42(16)13-15/h5,8,10-12,15-16H,3-4,6-7,9,13H2,1-2H3,(H2,36,37)(H,38,40,45)/t15-,16+/m1/s1
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| InChIKey |
WWGHMBADDJQDLD-CVEARBPZSA-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