General Information of the Compound
| Compound ID |
CP0483918
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| Compound Name |
US9206173, 2419
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| Structure |
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| Formula |
C25H26F3N5O5
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| Molecular Weight |
533.507
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| Canonical SMILES |
COc1ccc(C(=O)N2CCc3nc(NC(C)c4ccc(cc4)C(F)(F)F)n(OC)c(=O)c3C2)c(OC)n1
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| InChI |
InChI=1S/C25H26F3N5O5/c1-14(15-5-7-16(8-6-15)25(26,27)28)29-24-30-19-11-12-32(13-18(19)23(35)33(24)38-4)22(34)17-9-10-20(36-2)31-21(17)37-3/h5-10,14H,11-13H2,1-4H3,(H,29,30)
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| InChIKey |
WSDFAEVOFGBGJE-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