General Information of the Compound
| Compound ID |
CP0538160
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| Compound Name |
2-[[6-[[(4-pyridazin-4-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C24H23ClN6O4S
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| Molecular Weight |
527.006
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| Canonical SMILES |
Cl.OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccnnc2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C24H22N6O4S.ClH/c31-24(32)15-26-23-5-1-3-21(29-23)17-30(35(33,34)22-4-2-11-25-14-22)16-18-6-8-19(9-7-18)20-10-12-27-28-13-20;/h1-14H,15-17H2,(H,26,29)(H,31,32);1H
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| InChIKey |
YKVJEJGEVDKJAR-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