General Information of the Compound
| Compound ID |
CP0401320
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| Compound Name |
1-Adamantan-2-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(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12
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| InChI |
InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26)
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| InChIKey |
FLOCMOFUMUFEEN-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