General Information of the Compound
| Compound ID |
CP0489292
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| Compound Name |
N-[1-[(1,4-dimethoxynaphthalen-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
COc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)c(OC)c2ccccc12
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| InChI |
InChI=1S/C25H27N3O3/c1-29-23-15-17(24(30-2)20-8-4-3-7-19(20)23)16-28-13-11-18(12-14-28)26-25-27-21-9-5-6-10-22(21)31-25/h3-10,15,18H,11-14,16H2,1-2H3,(H,26,27)
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| InChIKey |
NCGVQNMKHICNHF-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