General Information of the Compound
| Compound ID |
CP0428092
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| Compound Name |
3,4-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
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| Structure |
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| Formula |
C13H15Cl2N3
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| Molecular Weight |
284.19
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| Canonical SMILES |
CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C13H15Cl2N3/c1-9(2)18(7-10-6-16-8-17-10)11-3-4-12(14)13(15)5-11/h3-6,8-9H,7H2,1-2H3,(H,16,17)
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| InChIKey |
QTQMKNGHALLZKU-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