General Information of the Compound
| Compound ID |
CP0571304
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| Compound Name |
5-bromo-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
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| Structure |
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| Formula |
C17H17BrN4O2
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| Molecular Weight |
389.253
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| Canonical SMILES |
Brc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C17H17BrN4O2.ClH/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H
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| InChIKey |
DQNDQNJPABVUOS-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