General Information of the Compound
| Compound ID |
CP0569286
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]ethoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C31H28N6O7S
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| Molecular Weight |
628.667
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCOCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C31H28N6O7S/c32-26(39)25-29(36-30(45-25)19-10-11-33-23(15-19)34-27(40)18-6-7-18)44-14-13-43-12-2-4-17-3-1-5-20-21(17)16-37(31(20)42)22-8-9-24(38)35-28(22)41/h1,3,5,10-11,15,18,22H,6-9,12-14,16H2,(H2,32,39)(H,33,34,40)(H,35,38,41)
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| InChIKey |
BELKIDBFFJQBHI-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