General Information of the Compound
| Compound ID |
CP0867116
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| Compound Name |
N1,N19-bis(2-(2-(2-(4-((1S,2S)-2-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-yloxy)phenylsulfonamido)ethoxy)ethoxy)ethyl)-4,7,10,13,16-pentaoxanonadecane-1,19-diamide
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| Structure |
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| Formula |
C66H96N6O17S2
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| Molecular Weight |
1309.653
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| Canonical SMILES |
O=C(CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1
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| InChI |
InChI=1S/C66H96N6O17S2/c73-63(67-25-35-81-41-43-83-37-27-69-90(75,76)57-19-15-55(16-20-57)88-65-59-13-5-3-11-53(59)51-61(65)71-29-7-1-8-30-71)23-33-79-39-45-85-47-49-87-50-48-86-46-40-80-34-24-64(74)68-26-36-82-42-44-84-38-28-70-91(77,78)58-21-17-56(18-22-58)89-66-60-14-6-4-12-54(60)52-62(66)72-31-9-2-10-32-72/h3-6,11-22,61-62,65-66,69-70H,1-2,7-10,23-52H2,(H,67,73)(H,68,74)/t61-,62-,65-,66-/m0/s1
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| InChIKey |
ACZVRDRQUJMSJF-SEIWYVHJSA-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