General Information of the Compound
| Compound ID |
CP0428087
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| Compound Name |
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
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| Structure |
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| Formula |
C13H16ClN3
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| Molecular Weight |
249.745
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| Canonical SMILES |
CC(C)N(Cc1cnc[nH]1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C13H16ClN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-4-11(14)6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)
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| InChIKey |
UQYBANUOFYJXRZ-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