General Information of the Compound
| Compound ID |
CP0457814
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| Compound Name |
1-[(4-chlorophenyl)sulfinylmethyl]-3-methylbenzimidazol-2-imine
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| Structure |
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| Formula |
C15H14ClN3OS
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| Molecular Weight |
319.817
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| Canonical SMILES |
Cn1c2ccccc2n(CS(=O)c2ccc(Cl)cc2)c1=N
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| InChI |
InChI=1S/C15H14ClN3OS/c1-18-13-4-2-3-5-14(13)19(15(18)17)10-21(20)12-8-6-11(16)7-9-12/h2-9,17H,10H2,1H3
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| InChIKey |
VTIZQFVZBLLQAD-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