General Information of the Compound
| Compound ID |
CP0458129
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| Compound Name |
2-[[6-[[(4-tert-butylphenyl)methyl-(4-methoxyphenyl)sulfonylamino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O5S
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| Molecular Weight |
534.078
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| Canonical SMILES |
Cl.COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(C)(C)C)Cc1cccc(NCC(O)=O)n1
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| InChI |
InChI=1S/C26H31N3O5S.ClH/c1-26(2,3)20-10-8-19(9-11-20)17-29(35(32,33)23-14-12-22(34-4)13-15-23)18-21-6-5-7-24(28-21)27-16-25(30)31;/h5-15H,16-18H2,1-4H3,(H,27,28)(H,30,31);1H
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| InChIKey |
QLTGIBRZYLREQV-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