General Information of the Compound
| Compound ID |
CP0883061
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| Compound Name |
3,3'-(2,2'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(6,8-dichloro-1,2,3,4-tetrahydroisoquinoline-4,2-diyl))dianiline
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| Structure |
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| Formula |
C38H42Cl4N4O3
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| Molecular Weight |
744.591
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| Canonical SMILES |
Nc1cccc(C2CN(CCOCCOCCOCCN3Cc4c(Cl)cc(Cl)cc4C(c4cccc(N)c4)C3)Cc3c(Cl)cc(Cl)cc32)c1
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| InChI |
InChI=1S/C38H42Cl4N4O3/c39-27-17-31-33(25-3-1-5-29(43)15-25)21-45(23-35(31)37(41)19-27)7-9-47-11-13-49-14-12-48-10-8-46-22-34(26-4-2-6-30(44)16-26)32-18-28(40)20-38(42)36(32)24-46/h1-6,15-20,33-34H,7-14,21-24,43-44H2
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| InChIKey |
ITVIUODSMKAABD-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