General Information of the Compound
| Compound ID |
CP0482824
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| Compound Name |
2-[[6-[[[4-(1-ethylcyclobutyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C26H30N4O4S
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| Molecular Weight |
494.617
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| Canonical SMILES |
CCC1(CCC1)c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C26H30N4O4S/c1-2-26(13-5-14-26)21-11-9-20(10-12-21)18-30(35(33,34)23-7-4-15-27-16-23)19-22-6-3-8-24(29-22)28-17-25(31)32/h3-4,6-12,15-16H,2,5,13-14,17-19H2,1H3,(H,28,29)(H,31,32)
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| InChIKey |
XZECEGGYSLNIAK-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