General Information of the Compound
| Compound ID |
CP0538597
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| Compound Name |
1-cyclopropyl-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C19H26N4O2S
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| Molecular Weight |
374.51
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CC1)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C19H26N4O2S/c1-14-12-20-13-22(14)10-4-9-21-19(26)23(15-5-6-15)16-7-8-17(24-2)18(11-16)25-3/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,21,26)
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| InChIKey |
NVANYJLERFSCHL-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