General Information of the Compound
| Compound ID |
CP0390018
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| Compound Name |
US10272079, Compound 001
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| Structure |
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| Formula |
C22H26Cl2N2O6
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| Molecular Weight |
485.364
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| Canonical SMILES |
CN1C[C@@H](c2cccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C22H26Cl2N2O6/c1-26-8-15(14-6-12(23)7-17(24)16(14)9-26)11-3-2-4-13(5-11)25-22(32)21(31)20(30)19(29)18(28)10-27/h2-7,15,18-21,27-31H,8-10H2,1H3,(H,25,32)/t15-,18+,19+,20-,21+/m0/s1
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| InChIKey |
XWJSKDLFYUFZLF-FYIGHOIKSA-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