General Information of the Compound
| Compound ID |
CP0559271
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| Compound Name |
US9481682, 89
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| Structure |
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| Formula |
C28H26F3N7O4
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| Molecular Weight |
581.555
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N7O4/c1-14-19-6-4-16(13-38(19)27(40)42-14)25-36-22(23-24(32)34-9-10-37(23)25)18-5-3-15(11-20(18)41-2)26(39)35-21-12-17(7-8-33-21)28(29,30)31/h3,5,7-12,14,16,19H,4,6,13H2,1-2H3,(H2,32,34)(H,33,35,39)/t14-,16-,19+/m1/s1
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| InChIKey |
QLWMIZWEEXQUFO-OGWOLHLISA-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