General Information of the Compound
| Compound ID |
CP0875560
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| Compound Name |
N1,N19-bis(2-(2-(2-(2-(4-((1S,2S)-2-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-yloxy)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,16-pentaoxanonadecane-1,19-diamide
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| Structure |
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| Formula |
C70H104N6O19S2
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| Molecular Weight |
1397.759
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| Canonical SMILES |
O=C(CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1
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| InChI |
InChI=1S/C70H104N6O19S2/c77-67(71-25-35-85-41-47-91-49-43-87-37-27-73-96(79,80)61-19-15-59(16-20-61)94-69-63-13-5-3-11-57(63)55-65(69)75-29-7-1-8-30-75)23-33-83-39-45-89-51-53-93-54-52-90-46-40-84-34-24-68(78)72-26-36-86-42-48-92-50-44-88-38-28-74-97(81,82)62-21-17-60(18-22-62)95-70-64-14-6-4-12-58(64)56-66(70)76-31-9-2-10-32-76/h3-6,11-22,65-66,69-70,73-74H,1-2,7-10,23-56H2,(H,71,77)(H,72,78)/t65-,66-,69-,70-/m0/s1
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| InChIKey |
VNLFBTVNBSRLST-PUAXAYCLSA-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