General Information of the Compound
| Compound ID |
CP0578492
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| Compound Name |
butyl N-[[4-[4-(imidazol-1-ylmethyl)phenyl]-2-propyl-1,3-thiazol-5-yl]sulfonyl]carbamate
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| Structure |
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| Formula |
C21H26N4O4S2
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| Molecular Weight |
462.597
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2)cc1
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| InChI |
InChI=1S/C21H26N4O4S2/c1-3-5-13-29-21(26)24-31(27,28)20-19(23-18(30-20)6-4-2)17-9-7-16(8-10-17)14-25-12-11-22-15-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,26)
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| InChIKey |
FQRMOWOLSKYOQP-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