General Information of the Compound
| Compound ID |
CP0434882
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| Compound Name |
US10272079, Compound 12
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| Structure |
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| Formula |
C23H30ClN7O5S
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| Molecular Weight |
552.057
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| Canonical SMILES |
NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H30ClN7O5S/c24-17-4-5-20-19(15-17)21(30-23(29-20)31-22(26)27)16-2-1-3-18(14-16)37(32,33)28-7-9-35-11-13-36-12-10-34-8-6-25/h1-5,14-15,28H,6-13,25H2,(H4,26,27,29,30,31)
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| InChIKey |
LLGZSGMNNZBESW-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