General Information of the Compound
| Compound ID |
CP0019790
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| Compound Name |
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(3-hydroxypropylsulfonyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H27N3O5S2
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| Molecular Weight |
477.608
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C
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| InChI |
InChI=1S/C22H27N3O5S2/c1-12-20(31-22(23-12)24-14(3)27)16-9-17-11-25(13(2)15-5-6-15)21(28)19(17)18(10-16)32(29,30)8-4-7-26/h9-10,13,15,26H,4-8,11H2,1-3H3,(H,23,24,27)/t13-/m0/s1
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| InChIKey |
QYVUEMYLTHEUNN-ZDUSSCGKSA-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