General Information of the Compound
| Compound ID |
CP0394031
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| Compound Name |
2-[[6-[[(4-tert-butylphenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C25H29ClFN3O4S
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| Molecular Weight |
522.042
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| Canonical SMILES |
Cl.CC(C)(C)c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2F)cc1
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| InChI |
InChI=1S/C25H28FN3O4S.ClH/c1-25(2,3)19-13-11-18(12-14-19)16-29(34(32,33)22-9-5-4-8-21(22)26)17-20-7-6-10-23(28-20)27-15-24(30)31;/h4-14H,15-17H2,1-3H3,(H,27,28)(H,30,31);1H
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| InChIKey |
XIMQEAUQJNVKAC-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