General Information of the Compound
| Compound ID |
CP0421797
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| Compound Name |
1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea
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| Structure |
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| Formula |
C23H34N4S2
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| Molecular Weight |
430.687
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| Canonical SMILES |
C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12
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| InChI |
InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-21(28-14-20-15-29-22-24-6-7-27(20)22)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,1-14H2,(H,25,26)
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| InChIKey |
SUMQRSOWPMBGQJ-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