General Information of the Compound
| Compound ID |
CP0546154
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C32H30N6O6S
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| Molecular Weight |
626.695
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C32H30N6O6S/c1-33-29(42)26-30(37-31(45-26)20-13-14-34-24(16-20)35-27(40)19-9-10-19)44-15-4-2-3-6-18-7-5-8-21-22(18)17-38(32(21)43)23-11-12-25(39)36-28(23)41/h5,7-8,13-14,16,19,23H,2,4,9-12,15,17H2,1H3,(H,33,42)(H,34,35,40)(H,36,39,41)
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| InChIKey |
VRFWWVRYDNNKHQ-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