General Information of the Compound
| Compound ID |
CP0431405
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| Compound Name |
US10272079, Compound 22
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| Structure |
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| Formula |
C24H33Cl2N3O5S
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| Molecular Weight |
546.517
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCN)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C24H33Cl2N3O5S/c1-29-16-22(21-14-19(25)15-24(26)23(21)17-29)18-3-2-4-20(13-18)35(30,31)28-6-8-33-10-12-34-11-9-32-7-5-27/h2-4,13-15,22,28H,5-12,16-17,27H2,1H3/t22-/m0/s1
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| InChIKey |
INYHTNOHKPVFNR-QFIPXVFZSA-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