General Information of the Compound
| Compound ID |
CP0486119
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| Compound Name |
US9481682, 114
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| Structure |
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| Formula |
C29H26F5N7O2
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| Molecular Weight |
599.564
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| Canonical SMILES |
CC(F)(F)c1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C29H26F5N7O2/c1-28(30,31)20-12-15(27(43)38-21-13-17(8-9-36-21)29(32,33)34)3-6-19(20)23-24-25(35)37-10-11-40(24)26(39-23)16-2-4-18-5-7-22(42)41(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,35,37)(H,36,38,43)/t16-,18+/m1/s1
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| InChIKey |
SUPJPMJMPMAERR-AEFFLSMTSA-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