General Information of the Compound
| Compound ID |
CP0402548
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| Compound Name |
US9193726, 52
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| Structure |
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| Formula |
C26H27F3N4O4
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| Molecular Weight |
516.52
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| Canonical SMILES |
COc1cc(ccc1[C@H]1CC[C@H](O1)[C@H](C)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N4O4/c1-15-13-31(14-30-15)19-6-7-20-25(35)32(10-11-33(20)24(19)34)16(2)21-8-9-22(37-21)18-5-4-17(26(27,28)29)12-23(18)36-3/h4-7,12-14,16,21-22H,8-11H2,1-3H3/t16-,21-,22+/m0/s1
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| InChIKey |
URNQTSVGYDZAAP-WQTXXOFMSA-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