General Information of the Compound
| Compound ID |
CP0553277
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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]-1,3-thiazole-5-carboxamide
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| Formula |
C31H26N6O8S
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| Molecular Weight |
642.65
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| Canonical SMILES |
NC(=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/C31H26N6O8S/c32-25(39)24-28(36-29(46-24)18-9-10-33-22(15-18)34-26(40)17-4-5-17)45-13-12-44-11-1-2-16-3-6-19-20(14-16)31(43)37(30(19)42)21-7-8-23(38)35-27(21)41/h3,6,9-10,14-15,17,21H,4-5,7-8,11-13H2,(H2,32,39)(H,33,34,40)(H,35,38,41)
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| InChIKey |
RPLUIPMBDJYDGZ-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