General Information of the Compound
| Compound ID |
CP0550397
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| Compound Name |
N-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-2,3-dihydroxypropanamide
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| Structure |
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| Formula |
C51H68Cl4N6O13S2
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| Molecular Weight |
1179.08
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| Canonical SMILES |
CN1CC(c2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(cc2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C51H68Cl4N6O13S2/c1-60-31-43(41-27-37(52)29-47(54)45(41)33-60)35-3-7-39(8-4-35)75(65,66)58-13-17-71-21-25-73-23-19-69-15-11-56-50(63)49(62)51(64)57-12-16-70-20-24-74-26-22-72-18-14-59-76(67,68)40-9-5-36(6-10-40)44-32-61(2)34-46-42(44)28-38(53)30-48(46)55/h3-10,27-30,43-44,49-50,56,58-59,62-63H,11-26,31-34H2,1-2H3,(H,57,64)
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| InChIKey |
FRHAUEWLDCMDAJ-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