General Information of the Compound
| Compound ID |
CP0406725
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| Compound Name |
2-[4-chloro-2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C18H17ClN2O4S
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| Molecular Weight |
392.864
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| Canonical SMILES |
Cc1c(CC(O)=O)c2c(Cl)ccnc2n1Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H17ClN2O4S/c1-11-14(9-16(22)23)17-15(19)7-8-20-18(17)21(11)10-12-3-5-13(6-4-12)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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| InChIKey |
BUBIAPCEJNADFR-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