General Information of the Compound
| Compound ID |
CP0466376
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| Compound Name |
5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropyl]-4-methyl-1H-imidazol-2-ylamine
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| Structure |
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| Formula |
C17H21N3O
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| Molecular Weight |
283.375
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| Canonical SMILES |
Cc1nc(N)[nH]c1[C@@H]1[C@@H](c2cccc3OCCc23)C1(C)C
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| InChI |
InChI=1S/C17H21N3O/c1-9-15(20-16(18)19-9)14-13(17(14,2)3)11-5-4-6-12-10(11)7-8-21-12/h4-6,13-14H,7-8H2,1-3H3,(H3,18,19,20)/t13-,14+/m1/s1
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| InChIKey |
CAFCXKSAUVLKSZ-KGLIPLIRSA-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