General Information of the Compound
| Compound ID |
CP0045800
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| Compound Name |
N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OC1CCCC1
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| InChI |
InChI=1S/C25H31N3O3/c1-29-23-11-10-18(16-24(23)30-20-6-2-3-7-20)17-28-14-12-19(13-15-28)26-25-27-21-8-4-5-9-22(21)31-25/h4-5,8-11,16,19-20H,2-3,6-7,12-15,17H2,1H3,(H,26,27)
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| InChIKey |
JVRMWPFNOXAMFI-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