General Information of the Compound
| Compound ID |
CP0954102
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| Compound Name |
1-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
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| Structure |
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| Formula |
C58H82N8O12S2
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| Molecular Weight |
1147.472
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| Canonical SMILES |
O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1
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| InChI |
InChI=1S/C58H82N8O12S2/c67-57(61-27-35-73-39-41-75-37-29-63-79(69,70)49-21-17-47(18-22-49)77-55-51-15-5-3-13-45(51)43-53(55)65-31-9-1-10-32-65)59-25-7-8-26-60-58(68)62-28-36-74-40-42-76-38-30-64-80(71,72)50-23-19-48(20-24-50)78-56-52-16-6-4-14-46(52)44-54(56)66-33-11-2-12-34-66/h3-6,13-24,53-56,63-64H,1-2,7-12,25-44H2,(H2,59,61,67)(H2,60,62,68)
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| InChIKey |
DYNNACXRJIVDFN-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