General Information of the Compound
| Compound ID |
CP0188207
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| Compound Name |
3-[5-amino-2-[2-[4-[2-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
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| Structure |
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| Formula |
C31H36F2N3O8P
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| Molecular Weight |
647.612
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| Canonical SMILES |
Cc1cc(OCCOCCOCCC(F)(F)P(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
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| InChI |
InChI=1S/C31H36F2N3O8P/c1-20-16-24(44-15-14-43-13-12-42-11-10-31(32,33)45(39,40)41)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(37)38)18-27(25)36-30(34)29(26)35-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,34,36)(H,37,38)(H2,39,40,41)
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| InChIKey |
GYHWHZCJAIQDOJ-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