General Information of the Compound
| Compound ID |
CP0560069
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| Compound Name |
US9481682, 124
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| Structure |
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| Formula |
C28H25F3N8O3
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| Molecular Weight |
578.555
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| Canonical SMILES |
NC(=O)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/C28H25F3N8O3/c29-28(30,31)16-7-8-34-20(12-16)36-27(42)14-2-5-18(19(11-14)25(33)41)22-23-24(32)35-9-10-38(23)26(37-22)15-1-3-17-4-6-21(40)39(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,32,35)(H2,33,41)(H,34,36,42)/t15-,17+/m1/s1
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| InChIKey |
XGVSRKMECFYLHH-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