General Information of the Compound
| Compound ID |
CP0380240
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| Compound Name |
1-benzyl-3-[4-(1H-imidazol-4-yl)butyl]thiourea
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| Structure |
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| Formula |
C15H20N4S
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| Molecular Weight |
288.42
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| Canonical SMILES |
S=C(NCCCCc1cnc[nH]1)NCc1ccccc1
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| InChI |
InChI=1S/C15H20N4S/c20-15(18-10-13-6-2-1-3-7-13)17-9-5-4-8-14-11-16-12-19-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,16,19)(H2,17,18,20)
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| InChIKey |
JXZWOXSMGANMAP-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