General Information of the Compound
| Compound ID |
CP0411258
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| Compound Name |
US10272079, Compound 7
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| Structure |
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| Formula |
C21H26ClN7O4S
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| Molecular Weight |
508.004
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| Canonical SMILES |
NCCOCCOCCNS(=O)(=O)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H26ClN7O4S/c22-15-4-5-18-17(13-15)19(28-21(27-18)29-20(24)25)14-2-1-3-16(12-14)34(30,31)26-7-9-33-11-10-32-8-6-23/h1-5,12-13,26H,6-11,23H2,(H4,24,25,27,28,29)
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| InChIKey |
XULZPXDXPKQVBC-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: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3