General Information of the Compound
| Compound ID |
CP0899490
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| Compound Name |
N1,N4-bis(2-(2-(2-(2-(4-((S/R)-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 |
C52H68Cl4N6O14S2
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| Molecular Weight |
1207.09
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1
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| InChI |
InChI=1S/C52H68Cl4N6O14S2/c1-61-31-43(41-27-37(53)29-47(55)45(41)33-61)35-3-7-39(8-4-35)77(67,68)59-13-17-73-21-25-75-23-19-71-15-11-57-51(65)49(63)50(64)52(66)58-12-16-72-20-24-76-26-22-74-18-14-60-78(69,70)40-9-5-36(6-10-40)44-32-62(2)34-46-42(44)28-38(54)30-48(46)56/h3-10,27-30,43-44,49-50,59-60,63-64H,11-26,31-34H2,1-2H3,(H,57,65)(H,58,66)/t43-,44+,49?,50?
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| InChIKey |
SNTWQTFUQNUEKF-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