General Information of the Compound
| Compound ID |
CP0946722
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| Compound Name |
(R)-2-(4-(5-(3-bromo-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanol
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| Structure |
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| Formula |
C22H24BrN3O3
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| Molecular Weight |
458.356
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1Br
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| InChI |
InChI=1S/C22H24BrN3O3/c1-13(2)28-20-9-6-14(12-18(20)23)22-25-21(26-29-22)17-5-3-4-16-15(17)7-8-19(16)24-10-11-27/h3-6,9,12-13,19,24,27H,7-8,10-11H2,1-2H3/t19-/m1/s1
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| InChIKey |
KYFNKLFZYIYWCW-LJQANCHMSA-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