General Information of the Compound
| Compound ID |
CP0426369
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]but-3-ynoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C30H24N6O7S
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| Molecular Weight |
612.624
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C30H24N6O7S/c31-24(38)23-27(35-28(44-23)17-10-11-32-21(14-17)33-25(39)16-5-6-16)43-12-2-1-3-15-4-7-18-19(13-15)30(42)36(29(18)41)20-8-9-22(37)34-26(20)40/h4,7,10-11,13-14,16,20H,2,5-6,8-9,12H2,(H2,31,38)(H,32,33,39)(H,34,37,40)
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| InChIKey |
CQMVODXLDPSUKY-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