General Information of the Compound
| Compound ID |
CP0434866
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| Compound Name |
US10272079, Compound 152
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| Structure |
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| Formula |
C54H66Cl4N8O12S2
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| Molecular Weight |
1225.112
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| Canonical SMILES |
CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)Nc1ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4c3cc(Cl)cc4Cl)N(C)C)cc2)cc1
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| InChI |
InChI=1S/C54H66Cl4N8O12S2/c1-65(2)49-33-43-45(29-35(55)31-47(43)57)51(49)77-39-9-13-41(14-10-39)79(69,70)61-19-23-75-27-25-73-21-17-59-53(67)63-37-5-7-38(8-6-37)64-54(68)60-18-22-74-26-28-76-24-20-62-80(71,72)42-15-11-40(12-16-42)78-52-46-30-36(56)32-48(58)44(46)34-50(52)66(3)4/h5-16,29-32,49-52,61-62H,17-28,33-34H2,1-4H3,(H2,59,63,67)(H2,60,64,68)/t49-,50-,51-,52-/m0/s1
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| InChIKey |
AKCGJFCYYXTOAS-CFOCFGCLSA-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