General Information of the Compound
| Compound ID |
CP0574584
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| Compound Name |
2-[[6-[[5-phenylpentyl(pyridin-3-ylsulfonyl)amino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C24H29ClN4O4S
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| Molecular Weight |
505.04
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| Canonical SMILES |
Cl.OC(=O)CNc1cccc(CN(CCCCCc2ccccc2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C24H28N4O4S.ClH/c29-24(30)18-26-23-14-7-12-21(27-23)19-28(33(31,32)22-13-8-15-25-17-22)16-6-2-5-11-20-9-3-1-4-10-20;/h1,3-4,7-10,12-15,17H,2,5-6,11,16,18-19H2,(H,26,27)(H,29,30);1H
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| InChIKey |
QQJZPADQYZVVOQ-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