General Information of the Compound
| Compound ID |
CP0190641
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| Compound Name |
6-chloro-1-[[4-(4-methyloxan-4-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C21H21ClN2O3
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| Molecular Weight |
384.863
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| Canonical SMILES |
CC1(CCOCC1)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
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| InChI |
InChI=1S/C21H21ClN2O3/c1-21(6-8-27-9-7-21)15-4-2-14(3-5-15)13-24-18-10-16(22)12-23-17(18)11-19(24)20(25)26/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
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| InChIKey |
UFUQPNSWYADFPD-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