General Information of the Compound
| Compound ID |
CP0389738
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| Compound Name |
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]ethanesulfonic acid
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| Structure |
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| Formula |
C15H22ClN3O5S
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| Molecular Weight |
391.877
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCS(O)(=O)=O)CC1
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| InChI |
InChI=1S/C15H22ClN3O5S/c1-24-14-9-13(17)12(16)8-11(14)15(20)18-10-2-4-19(5-3-10)6-7-25(21,22)23/h8-10H,2-7,17H2,1H3,(H,18,20)(H,21,22,23)
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| InChIKey |
PTWAQDHDQATUSM-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