General Information of the Compound
| Compound ID |
CP0542924
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| Compound Name |
2-[1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C17H14Cl2N2O2
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| Molecular Weight |
349.217
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H14Cl2N2O2/c1-10-13(8-16(22)23)12-3-2-6-20-17(12)21(10)9-11-4-5-14(18)15(19)7-11/h2-7H,8-9H2,1H3,(H,22,23)
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| InChIKey |
ONPHGIGUECRBRL-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