General Information of the Compound
| Compound ID |
CP0533890
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| Compound Name |
4-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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| Formula |
C17H19N3OS2
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| Molecular Weight |
345.493
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| Canonical SMILES |
CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(N)=O)c12
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| InChI |
InChI=1S/C17H19N3OS2/c1-10-6-5-9-12-13(10)14(15(18)21)16(23-12)20-17(22)19-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H2,18,21)(H2,19,20,22)
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| InChIKey |
XEWOCORPFIZSQN-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