General Information of the Compound
| Compound ID |
CP0176620
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| Compound Name |
2-cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzoic acid
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| Formula |
C20H20N2O2
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| Molecular Weight |
320.392
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| Canonical SMILES |
Cn1ccc2c(ccnc12)-c1ccc(C(O)=O)c(c1)C1CCCC1
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| InChI |
InChI=1S/C20H20N2O2/c1-22-11-9-16-15(8-10-21-19(16)22)14-6-7-17(20(23)24)18(12-14)13-4-2-3-5-13/h6-13H,2-5H2,1H3,(H,23,24)
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| InChIKey |
QVKRXPQUPKYNFR-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