General Information of the Compound
| Compound ID |
CP0436817
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| Compound Name |
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C24H27N3O
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| Molecular Weight |
373.5
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccncc1
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| InChI |
InChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1
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| InChIKey |
BQYNOCZVNLUEFZ-UPVQGACJSA-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