General Information of the Compound
| Compound ID |
CP0562995
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| Compound Name |
N-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide
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| Structure |
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| Formula |
C48H60Cl4N6O11S2
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| Molecular Weight |
1102.985
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| Canonical SMILES |
CN1CC(c2ccc(cc2)S(=O)(=O)NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(cc2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C48H60Cl4N6O11S2/c1-57-27-41(39-23-35(49)25-45(51)43(39)29-57)33-3-7-37(8-4-33)70(61,62)55-13-17-67-21-19-65-15-11-53-47(59)31-69-32-48(60)54-12-16-66-20-22-68-18-14-56-71(63,64)38-9-5-34(6-10-38)42-28-58(2)30-44-40(42)24-36(50)26-46(44)52/h3-10,23-26,41-42,55-56H,11-22,27-32H2,1-2H3,(H,53,59)(H,54,60)
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| InChIKey |
IDGLEALKBGCSAC-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