General Information of the Compound
| Compound ID |
CP0450810
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| Compound Name |
US9045389, 9
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| Structure |
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| Formula |
C29H24FN3O5
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| Molecular Weight |
513.525
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1CNc1ccc(cc1)-c1ccc(F)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C29H24FN3O5/c30-26-14-11-22(17-27(26)33(37)38)19-9-12-24(13-10-19)32-18-23-3-1-2-4-25(23)20-5-7-21(8-6-20)29(36)31-16-15-28(34)35/h1-14,17,32H,15-16,18H2,(H,31,36)(H,34,35)
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| InChIKey |
RNNUVFDEXIFTNE-UHFFFAOYSA-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