General Information of the Compound
| Compound ID |
CP0900165
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| Compound Name |
2-[methyl-[2-oxo-2-[2-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
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| Structure |
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| Formula |
C61H87N7O14S2
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| Molecular Weight |
1206.536
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| Canonical SMILES |
CN(CC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1
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| InChI |
InChI=1S/C61H87N7O14S2/c1-66(46-58(69)62-24-32-75-36-40-79-42-38-77-34-26-64-83(71,72)52-20-16-50(17-21-52)81-60-54-14-6-4-12-48(54)44-56(60)67-28-8-2-9-29-67)47-59(70)63-25-33-76-37-41-80-43-39-78-35-27-65-84(73,74)53-22-18-51(19-23-53)82-61-55-15-7-5-13-49(55)45-57(61)68-30-10-3-11-31-68/h4-7,12-23,56-57,60-61,64-65H,2-3,8-11,24-47H2,1H3,(H,62,69)(H,63,70)
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| InChIKey |
HLJUJPHIOFWWOT-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