General Information of the Compound
| Compound ID |
CP0135993
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| Compound Name |
1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
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| Synonyms |
IT1a
isothiourea-1a
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| Structure |
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| Formula |
C19H30N4S2
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| Molecular Weight |
378.611
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| Canonical SMILES |
C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
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| InChI |
InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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| InChIKey |
ZEZPDHKACVMMCD-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
Protein ID: PT02059, C-X-C chemokine receptor type 4
Protein ID: PT06053, C-X-C chemokine receptor type 4
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound