General Information of the Compound
| Compound ID |
CP0845574
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| Compound Name |
(2R,3R)-2,3-dihydroxy-N1,N4-bis(2-(2-(2-(2-(4-((1S,2S)-2-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-yloxy)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)succinamide
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| Structure |
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| Formula |
C60H84N6O16S2
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| Molecular Weight |
1209.492
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| Canonical SMILES |
O=C(NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1
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| InChI |
InChI=1S/C60H84N6O16S2/c67-55(59(69)61-23-31-75-35-39-79-41-37-77-33-25-63-83(71,72)49-19-15-47(16-20-49)81-57-51-13-5-3-11-45(51)43-53(57)65-27-7-1-8-28-65)56(68)60(70)62-24-32-76-36-40-80-42-38-78-34-26-64-84(73,74)50-21-17-48(18-22-50)82-58-52-14-6-4-12-46(52)44-54(58)66-29-9-2-10-30-66/h3-6,11-22,53-58,63-64,67-68H,1-2,7-10,23-44H2,(H,61,69)(H,62,70)/t53-,54-,55+,56+,57-,58-/m0/s1
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| InChIKey |
WFCIOKLLKKTMHA-WCARRDIBSA-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