General Information of the Compound
| Compound ID |
CP0190290
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| Compound Name |
3-[5-amino-2-[2-[4-(4,4-difluoro-4-phosphonobutoxy)-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
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| Structure |
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| Formula |
C28H30F2N3O6P
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| Molecular Weight |
573.533
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| Canonical SMILES |
Cc1cc(OCCCC(F)(F)P(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
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| InChI |
InChI=1S/C28H30F2N3O6P/c1-17-13-21(39-12-2-11-28(29,30)40(36,37)38)8-7-20(17)6-3-19-14-23-22-9-4-18(5-10-25(34)35)15-24(22)33-27(31)26(23)32-16-19/h4,7-9,13-16H,2-3,5-6,10-12H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)
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| InChIKey |
QZDVNZBJWPXLRH-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