General Information of the Compound
| Compound ID |
CP0491708
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| Compound Name |
4-[3-[[5-chloro-1-(3-cyanopropyl)indol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H20ClN5O3
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| Molecular Weight |
485.931
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
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| InChI |
InChI=1S/C26H20ClN5O3/c27-19-5-8-22-18(13-19)14-21(30(22)12-2-1-10-28)16-31-24-15-29-11-9-23(24)32(26(31)35)20-6-3-17(4-7-20)25(33)34/h3-9,11,13-15H,1-2,12,16H2,(H,33,34)
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| InChIKey |
DFSUFCXGSMOZJI-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