General Information of the Compound
| Compound ID |
CP0558989
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| Compound Name |
2-[[4-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-1,3-thiazol-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C22H27ClN4O4S2
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| Molecular Weight |
511.069
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| Canonical SMILES |
Cl.CC(C)(C)c1ccc(CN(Cc2csc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C22H26N4O4S2.ClH/c1-22(2,3)17-8-6-16(7-9-17)13-26(32(29,30)19-5-4-10-23-11-19)14-18-15-31-21(25-18)24-12-20(27)28;/h4-11,15H,12-14H2,1-3H3,(H,24,25)(H,27,28);1H
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| InChIKey |
HDDCUHNRRSUCBH-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