General Information of the Compound
| Compound ID |
CP0847224
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| Compound Name |
N1,N4-bis(2-(2-(2-(2-(3-((R/S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C52H68Cl4N6O10
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| Molecular Weight |
1078.96
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNc3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C52H68Cl4N6O10/c1-61-31-43(41-27-37(53)29-47(55)45(41)33-61)35-5-3-7-39(25-35)57-9-13-67-17-21-71-23-19-69-15-11-59-51(65)49(63)50(64)52(66)60-12-16-70-20-24-72-22-18-68-14-10-58-40-8-4-6-36(26-40)44-32-62(2)34-46-42(44)28-38(54)30-48(46)56/h3-8,25-30,43-44,49-50,57-58,63-64H,9-24,31-34H2,1-2H3,(H,59,65)(H,60,66)/t43-,44+,49?,50?
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| InChIKey |
PTMNNUHCKOUXCE-BYZHBIFJSA-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