General Information of the Compound
| Compound ID |
CP0531205
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| Compound Name |
tert-butyl 4-methyl-2-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Formula |
C25H34N2O3S2
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| Molecular Weight |
474.692
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| Canonical SMILES |
CC1CCCc2sc(NC(=S)Nc3ccc(OC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)c12
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| InChI |
InChI=1S/C25H34N2O3S2/c1-15-9-8-10-18-19(15)20(22(28)30-25(5,6)7)21(32-18)27-23(31)26-16-11-13-17(14-12-16)29-24(2,3)4/h11-15H,8-10H2,1-7H3,(H2,26,27,31)
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| InChIKey |
UOJXFNVETGGXPW-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: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT02059, C-X-C chemokine receptor type 4