General Information of the Compound
| Compound ID |
CP0534578
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| Compound Name |
methyl N-[3-[3-[2-(2-cyclopropylimidazol-1-yl)acetyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Formula |
C24H27N3O5S2
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| Molecular Weight |
501.63
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| Canonical SMILES |
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C1CC1
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| InChI |
InChI=1S/C24H27N3O5S2/c1-15(2)11-19-13-20(23(33-19)34(30,31)26-24(29)32-3)17-5-4-6-18(12-17)21(28)14-27-10-9-25-22(27)16-7-8-16/h4-6,9-10,12-13,15-16H,7-8,11,14H2,1-3H3,(H,26,29)
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| InChIKey |
PWNGRYBTVXPJDI-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