General Information of the Compound
| Compound ID |
CP0897723
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| Compound Name |
N1,N2-bis(2-(2-(2-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)oxalamide
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| Structure |
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| Formula |
C46H56Cl4N6O10S2
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| Molecular Weight |
1058.932
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)C(=O)NCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1
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| InChI |
InChI=1S/C46H56Cl4N6O10S2/c1-55-27-39(37-23-33(47)25-43(49)41(37)29-55)31-3-7-35(8-4-31)67(59,60)53-13-17-65-21-19-63-15-11-51-45(57)46(58)52-12-16-64-20-22-66-18-14-54-68(61,62)36-9-5-32(6-10-36)40-28-56(2)30-42-38(40)24-34(48)26-44(42)50/h3-10,23-26,39-40,53-54H,11-22,27-30H2,1-2H3,(H,51,57)(H,52,58)
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| InChIKey |
PNQBISQEUAHSEQ-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