General Information of the Compound
| Compound ID |
CP0470983
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| Compound Name |
1-[(4-chlorophenyl)methyl]-3H-indol-2-imine;hydrochloride
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| Structure |
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| Formula |
C15H14Cl2N2
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| Molecular Weight |
293.197
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| Canonical SMILES |
Cl.Clc1ccc(CN2C(=N)Cc3ccccc23)cc1
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| InChI |
InChI=1S/C15H13ClN2.ClH/c16-13-7-5-11(6-8-13)10-18-14-4-2-1-3-12(14)9-15(18)17;/h1-8,17H,9-10H2;1H
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| InChIKey |
RSUSUFDLPQPVIF-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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2