General Information of the Compound
| Compound ID |
CP0546155
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-ynoxy]ethoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C32H28N6O8S
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| Molecular Weight |
656.677
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCOCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C32H28N6O8S/c1-33-28(42)25-29(37-30(47-25)19-10-11-34-23(16-19)35-26(40)18-5-6-18)46-14-13-45-12-2-3-17-4-7-20-21(15-17)32(44)38(31(20)43)22-8-9-24(39)36-27(22)41/h4,7,10-11,15-16,18,22H,5-6,8-9,12-14H2,1H3,(H,33,42)(H,34,35,40)(H,36,39,41)
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| InChIKey |
ZTXXJDLWWAKLLK-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