General Information of the Compound
| Compound ID |
CP0404352
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| Compound Name |
US10272079, Compound 4
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| Structure |
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| Formula |
C25H33F2N5O7S
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| Molecular Weight |
585.63
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| Canonical SMILES |
C\C(=C/c1cc(F)c(Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)c(F)c1)C(=O)N=C(N)N
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| InChI |
InChI=1S/C25H33F2N5O7S/c1-17(24(33)32-25(29)30)14-18-15-21(26)23(22(27)16-18)39-19-2-4-20(5-3-19)40(34,35)31-7-9-37-11-13-38-12-10-36-8-6-28/h2-5,14-16,31H,6-13,28H2,1H3,(H4,29,30,32,33)/b17-14+
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| InChIKey |
PHPJDFTXBBRTHD-SAPNQHFASA-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
Protein ID: PT04309, Sodium/hydrogen exchanger 3
Protein ID: PT03762, Sodium/hydrogen exchanger 3