General Information of the Compound
| Compound ID |
CP0883063
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| Compound Name |
N1,N4-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-ethyl-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 |
C54H72Cl4N6O14S2
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| Molecular Weight |
1235.144
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| Canonical SMILES |
CCN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(CC)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C54H72Cl4N6O14S2/c1-3-63-33-45(43-29-39(55)31-49(57)47(43)35-63)37-7-5-9-41(27-37)79(69,70)61-13-17-75-21-25-77-23-19-73-15-11-59-53(67)51(65)52(66)54(68)60-12-16-74-20-24-78-26-22-76-18-14-62-80(71,72)42-10-6-8-38(28-42)46-34-64(4-2)36-48-44(46)30-40(56)32-50(48)58/h5-10,27-32,45-46,51-52,61-62,65-66H,3-4,11-26,33-36H2,1-2H3,(H,59,67)(H,60,68)
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| InChIKey |
FHRLGPHMKILQAM-UHFFFAOYSA-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