General Information of the Compound
| Compound ID |
CP0170223
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| Compound Name |
N-[3-[[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C21H20BrN5O2S
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| Molecular Weight |
486.395
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3cccs3)c2[nH]1
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| InChI |
InChI=1S/C21H20BrN5O2S/c1-29-14-7-5-13(6-8-14)19-26-18-17(15(22)12-25-20(18)27-19)23-9-3-10-24-21(28)16-4-2-11-30-16/h2,4-8,11-12H,3,9-10H2,1H3,(H,24,28)(H2,23,25,26,27)
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| InChIKey |
NSNZIHNPWOUVQN-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