General Information of the Compound
| Compound ID |
CP0394034
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| Compound Name |
2-[[6-[[(4-pyridin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C25H23N5O4S
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| Molecular Weight |
489.557
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| Canonical SMILES |
OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccn2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C25H23N5O4S/c31-25(32)16-28-24-8-3-5-21(29-24)18-30(35(33,34)22-6-4-13-26-15-22)17-19-9-11-20(12-10-19)23-7-1-2-14-27-23/h1-15H,16-18H2,(H,28,29)(H,31,32)
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| InChIKey |
GIAMIBQDBOVHFC-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