General Information of the Compound
| Compound ID |
CP0134827
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| Compound Name |
N-[3-[[6-carbamothioyl-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclopentanecarboxamide
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| Structure |
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| Formula |
C23H28N6O2S
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| Molecular Weight |
452.584
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1
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| InChI |
InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)
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| InChIKey |
UOFZOMWGIVJIKW-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