General Information of the Compound
| Compound ID |
CP0415045
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| Compound Name |
US10272079, Compound 60
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| Structure |
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| Formula |
C26H37N3O5S
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| Molecular Weight |
503.665
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| Canonical SMILES |
NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1
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| InChI |
InChI=1S/C26H37N3O5S/c27-12-16-32-18-19-33-17-13-28-35(30,31)23-10-8-22(9-11-23)34-26-24-7-3-2-6-21(24)20-25(26)29-14-4-1-5-15-29/h2-3,6-11,25-26,28H,1,4-5,12-20,27H2/t25-,26-/m0/s1
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| InChIKey |
ORUVEYYOJPIXTR-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