General Information of the Compound
| Compound ID |
CP0063612
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| Compound Name |
N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C21H25N3O3
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| Molecular Weight |
367.449
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OC
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| InChI |
InChI=1S/C21H25N3O3/c1-25-19-8-7-15(13-20(19)26-2)14-24-11-9-16(10-12-24)22-21-23-17-5-3-4-6-18(17)27-21/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,23)
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| InChIKey |
DSLKCOAGUPWVOT-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