General Information of the Compound
| Compound ID |
CP0577871
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| Compound Name |
US9481682, 213
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| Structure |
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| Formula |
C29H25F6N7O3
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| Molecular Weight |
633.553
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C29H25F6N7O3/c1-45-19-10-14(27(44)39-21-11-16(8-9-37-21)28(30,31)32)3-6-18(19)23-24-25(36)38-12-20(29(33,34)35)42(24)26(40-23)15-2-4-17-5-7-22(43)41(17)13-15/h3,6,8-12,15,17H,2,4-5,7,13H2,1H3,(H2,36,38)(H,37,39,44)/t15-,17+/m1/s1
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| InChIKey |
PETOYJLBALNXSJ-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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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