General Information of the Compound
| Compound ID |
CP0901193
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| Compound Name |
(6-((4'-Fluorobiphenyl-4-ylmethyl)(pyridin-3-ylsulfonyl)-aminomethyl)pyridin-2-ylamino)acetic Acid Hydrochloride
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| Structure |
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| Formula |
C26H24ClFN4O4S
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| Molecular Weight |
543.02
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| Canonical SMILES |
Cl.O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C26H23FN4O4S.ClH/c27-22-12-10-21(11-13-22)20-8-6-19(7-9-20)17-31(36(34,35)24-4-2-14-28-15-24)18-23-3-1-5-25(30-23)29-16-26(32)33;/h1-15H,16-18H2,(H,29,30)(H,32,33);1H
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| InChIKey |
VHWYDMRIQGBWOG-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