General Information of the Compound
| Compound ID |
CP0374440
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| Compound Name |
US10272079, Compound 62
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| Structure |
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| Formula |
C26H35Cl2N3O5S
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| Molecular Weight |
572.555
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| Canonical SMILES |
NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCCC2)cc1
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| InChI |
InChI=1S/C26H35Cl2N3O5S/c27-19-16-23-22(24(28)17-19)18-25(31-10-2-1-3-11-31)26(23)36-20-4-6-21(7-5-20)37(32,33)30-9-13-35-15-14-34-12-8-29/h4-7,16-17,25-26,30H,1-3,8-15,18,29H2/t25-,26-/m0/s1
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| InChIKey |
WZMVNBBWLZNDPY-UIOOFZCWSA-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: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3