General Information of the Compound
| Compound ID |
CP0247741
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| Compound Name |
2-[7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C30H37N7O3S
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| Molecular Weight |
575.739
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1
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| InChI |
InChI=1S/C30H37N7O3S/c1-18(2)15-34-29(39)23-17-41-30(35-23)22-16-33-27-25(36-26(37-27)19-9-11-21(40-3)12-10-19)24(22)31-13-6-14-32-28(38)20-7-4-5-8-20/h9-12,16-18,20H,4-8,13-15H2,1-3H3,(H,32,38)(H,34,39)(H2,31,33,36,37)
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| InChIKey |
YSDVXKUGVXDCHH-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