General Information of the Compound
| Compound ID |
CP0421795
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| Compound Name |
1,3-dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
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| Structure |
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| Formula |
C23H38N4S2
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| Molecular Weight |
434.719
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| Canonical SMILES |
C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12
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| InChI |
InChI=1S/C23H38N4S2/c1-3-7-11-19(12-8-4-1)25-22(26-20-13-9-5-2-6-10-14-20)28-17-21-18-29-23-24-15-16-27(21)23/h18-20H,1-17H2,(H,25,26)
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| InChIKey |
XPJOLOSQHLCVQV-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