General Information of the Compound
| Compound ID |
CP0063576
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| Compound Name |
N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1Cl
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| InChI |
InChI=1S/C21H24ClN3O2/c1-2-26-20-13-15(7-8-17(20)22)14-25-11-9-16(10-12-25)23-21-24-18-5-3-4-6-19(18)27-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,24)
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| InChIKey |
JVCJWEYSNNCGKX-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