General Information of the Compound
| Compound ID |
CP0143396
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[8-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]triazol-1-yl]octoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C38H41N9O8S
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| Molecular Weight |
783.868
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCCCCCCCn1cc(COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C38H41N9O8S/c1-39-34(51)31-35(43-36(56-31)23-15-16-40-28(19-23)41-32(49)22-11-12-22)54-18-7-5-3-2-4-6-17-46-20-24(44-45-46)21-55-27-10-8-9-25-30(27)38(53)47(37(25)52)26-13-14-29(48)42-33(26)50/h8-10,15-16,19-20,22,26H,2-7,11-14,17-18,21H2,1H3,(H,39,51)(H,40,41,49)(H,42,48,50)
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| InChIKey |
RKLZXLGYRQMLHE-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