General Information of the Compound
| Compound ID |
CP0847227
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| Compound Name |
N1,N4-bis(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethyl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C40H44Cl4N6O8S2
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| Molecular Weight |
942.772
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCNC(=O)C(O)C(O)C(=O)NCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C40H44Cl4N6O8S2/c1-49-19-31(29-15-25(41)17-35(43)33(29)21-49)23-5-3-7-27(13-23)59(55,56)47-11-9-45-39(53)37(51)38(52)40(54)46-10-12-48-60(57,58)28-8-4-6-24(14-28)32-20-50(2)22-34-30(32)16-26(42)18-36(34)44/h3-8,13-18,31-32,37-38,47-48,51-52H,9-12,19-22H2,1-2H3,(H,45,53)(H,46,54)
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| InChIKey |
RZSSNBBQYBAWBF-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