General Information of the Compound
| Compound ID |
CP0538090
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C37H42N6O12S
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| Molecular Weight |
794.84
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCOCCOCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C37H42N6O12S/c1-38-33(47)30-34(42-35(56-30)23-9-10-39-27(21-23)40-31(45)22-5-6-22)55-20-18-53-16-14-51-12-11-50-13-15-52-17-19-54-26-4-2-3-24-29(26)37(49)43(36(24)48)25-7-8-28(44)41-32(25)46/h2-4,9-10,21-22,25H,5-8,11-20H2,1H3,(H,38,47)(H,39,40,45)(H,41,44,46)
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| InChIKey |
XIXSYMFCRMFVAW-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