General Information of the Compound
| Compound ID |
CP0115657
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| Compound Name |
N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
CCCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
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| InChI |
InChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25)
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| InChIKey |
AQMDQWAARXFGOY-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