General Information of the Compound
| Compound ID |
CP0849234
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| Compound Name |
N-(2-((4-Bromobenzyl)(isopropyl)amino)ethyl)-2-((4-ethylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C30H36BrN3O3S
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| Molecular Weight |
598.607
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| Canonical SMILES |
CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1
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| InChI |
InChI=1S/C30H36BrN3O3S/c1-4-23-7-13-29(14-8-23)38(36,37)34-17-15-25-19-26(9-10-27(25)21-34)30(35)32-16-18-33(22(2)3)20-24-5-11-28(31)12-6-24/h5-14,19,22H,4,15-18,20-21H2,1-3H3,(H,32,35)
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| InChIKey |
GVZZRHUNVMFTRT-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