General Information of the Compound
| Compound ID |
CP0057002
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| Compound Name |
1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea
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| Synonyms |
1-[4-(1H-indazol-4-yl)butyl]-3-methylthiourea
AC1NSKDK
GTPL1229
burimamide
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| Structure |
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| Formula |
C9H16N4S
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| Molecular Weight |
212.322
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| Canonical SMILES |
CNC(=S)NCCCCc1cnc[nH]1
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| InChI |
InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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| InChIKey |
HXRBAVXGYZUSED-UHFFFAOYSA-N
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| CAS |
34970-69-9
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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
Clinical Information about the Compound