General Information of the Compound
| Compound ID |
CP0848440
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| Compound Name |
N-(2-((4-Bromobenzyl)(tert-butyl)amino)ethyl)-2-(mesitylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C32H40BrN3O3S
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| Molecular Weight |
626.661
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| Canonical SMILES |
Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)c(C)c1
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| InChI |
InChI=1S/C32H40BrN3O3S/c1-22-17-23(2)30(24(3)18-22)40(38,39)36-15-13-26-19-27(9-10-28(26)21-36)31(37)34-14-16-35(32(4,5)6)20-25-7-11-29(33)12-8-25/h7-12,17-19H,13-16,20-21H2,1-6H3,(H,34,37)
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| InChIKey |
KDHWFWPMHSIPPF-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