General Information of the Compound
| Compound ID |
CP0394032
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| Compound Name |
2-[[6-[[pyridin-3-ylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]pyridin-2-yl]amino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C21H20ClF3N4O4S
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| Molecular Weight |
516.929
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| Canonical SMILES |
Cl.OC(=O)CNc1cccc(CN(Cc2ccc(cc2)C(F)(F)F)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C21H19F3N4O4S.ClH/c22-21(23,24)16-8-6-15(7-9-16)13-28(33(31,32)18-4-2-10-25-11-18)14-17-3-1-5-19(27-17)26-12-20(29)30;/h1-11H,12-14H2,(H,26,27)(H,29,30);1H
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| InChIKey |
NMWDIVJTHJDOOI-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