General Information of the Compound
| Compound ID |
CP0481058
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| Compound Name |
(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1c(C)noc1C
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| InChI |
InChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1
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| InChIKey |
NNCLFEXCOZZGBL-URXFXBBRSA-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