General Information of the Compound
| Compound ID |
CP0387031
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| Compound Name |
2-[[6-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]-methylamino]acetic acid;hydrochloride
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| Structure |
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| Formula |
C25H31ClN4O4S
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| Molecular Weight |
519.067
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| Canonical SMILES |
Cl.CN(CC(O)=O)c1cccc(CN(Cc2ccc(cc2)C(C)(C)C)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C25H30N4O4S.ClH/c1-25(2,3)20-12-10-19(11-13-20)16-29(34(32,33)22-8-6-14-26-15-22)17-21-7-5-9-23(27-21)28(4)18-24(30)31;/h5-15H,16-18H2,1-4H3,(H,30,31);1H
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| InChIKey |
OHTBPAKFFJTPBA-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