General Information of the Compound
| Compound ID |
CP0434883
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| Compound Name |
US10272079, Compound 1
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| Structure |
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| Formula |
C16H16Cl2N2O2S
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| Molecular Weight |
371.289
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(N)(=O)=O)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C16H16Cl2N2O2S/c1-20-8-14(10-3-2-4-12(5-10)23(19,21)22)13-6-11(17)7-16(18)15(13)9-20/h2-7,14H,8-9H2,1H3,(H2,19,21,22)
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| InChIKey |
UNNPAFDYRLETBW-UHFFFAOYSA-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