General Information of the Compound
| Compound ID |
CP0486329
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C31H28N6O6S
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| Molecular Weight |
612.668
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C31H28N6O6S/c1-32-28(41)25-29(36-30(44-25)19-12-13-33-23(15-19)34-26(39)18-8-9-18)43-14-3-2-5-17-6-4-7-20-21(17)16-37(31(20)42)22-10-11-24(38)35-27(22)40/h4,6-7,12-13,15,18,22H,3,8-11,14,16H2,1H3,(H,32,41)(H,33,34,39)(H,35,38,40)
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| InChIKey |
IHGCHNRVWZVNHJ-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