General Information of the Compound
| Compound ID |
CP0538787
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C36H37N9O10S
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| Molecular Weight |
787.812
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCOCCOCCn1cc(COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C36H37N9O10S/c1-37-32(49)29-33(41-34(56-29)21-9-10-38-26(17-21)39-30(47)20-5-6-20)54-16-15-53-14-13-52-12-11-44-18-22(42-43-44)19-55-25-4-2-3-23-28(25)36(51)45(35(23)50)24-7-8-27(46)40-31(24)48/h2-4,9-10,17-18,20,24H,5-8,11-16,19H2,1H3,(H,37,49)(H,38,39,47)(H,40,46,48)
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| InChIKey |
ZAKSJUQLYNRLBF-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