General Information of the Compound
| Compound ID |
CP0849145
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| Compound Name |
N-(2-(Benzyl(tert-butyl)amino)ethyl)-((4-ethylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C31H39N3O3S
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| Molecular Weight |
533.738
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| Canonical SMILES |
CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccccc4)C(C)(C)C)ccc3C2)cc1
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| InChI |
InChI=1S/C31H39N3O3S/c1-5-24-11-15-29(16-12-24)38(36,37)34-19-17-26-21-27(13-14-28(26)23-34)30(35)32-18-20-33(31(2,3)4)22-25-9-7-6-8-10-25/h6-16,21H,5,17-20,22-23H2,1-4H3,(H,32,35)
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| InChIKey |
YSXOQVIXVIMTHG-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