General Information of the Compound
| Compound ID |
CP0883062
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| Compound Name |
(E)-4-((4-(4-(3-(diaminomethyleneamino)-2-methyl-3-oxoprop-1-eny1)-2,6-difluorophenoxy)phenylsulfonamido)methyl)benzylphosphonic acid
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| Structure |
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| Formula |
C25H25F2N4O7PS
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| Molecular Weight |
594.533
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| Canonical SMILES |
C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)NCc3ccc(CP(=O)(O)O)cc3)cc2)c(F)c1)C(=O)N=C(N)N
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| InChI |
InChI=1S/C25H25F2N4O7PS/c1-15(24(32)31-25(28)29)10-18-11-21(26)23(22(27)12-18)38-19-6-8-20(9-7-19)40(36,37)30-13-16-2-4-17(5-3-16)14-39(33,34)35/h2-12,30H,13-14H2,1H3,(H2,33,34,35)(H4,28,29,31,32)/b15-10+
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| InChIKey |
FSQZPIBCHORXKN-XNTDXEJSSA-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