General Information of the Compound
| Compound ID |
CP0434757
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| Compound Name |
2-[[6-[[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C25H30ClN3O4S
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| Molecular Weight |
504.052
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| Canonical SMILES |
Cl.CC(C)(C)c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H29N3O4S.ClH/c1-25(2,3)20-14-12-19(13-15-20)17-28(33(31,32)22-9-5-4-6-10-22)18-21-8-7-11-23(27-21)26-16-24(29)30;/h4-15H,16-18H2,1-3H3,(H,26,27)(H,29,30);1H
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| InChIKey |
LBJKNVNZUIKUTD-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