General Information of the Compound
| Compound ID |
CP0063688
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| Compound Name |
N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C22H28N4O2
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| Molecular Weight |
380.492
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| Canonical SMILES |
CCNc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
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| InChI |
InChI=1S/C22H28N4O2/c1-3-23-19-14-16(8-9-20(19)27-2)15-26-12-10-17(11-13-26)24-22-25-18-6-4-5-7-21(18)28-22/h4-9,14,17,23H,3,10-13,15H2,1-2H3,(H,24,25)
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| InChIKey |
YVXMFUHTLHNJGZ-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