General Information of the Compound
| Compound ID |
CP0547709
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| Compound Name |
(2S,3S)-N-[[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccn1C
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| InChI |
InChI=1S/C23H28N4O/c1-27-14-13-25-23(27)18-10-11-21(28-2)19(15-18)16-26-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,20,22,24,26H,6,9,12,16H2,1-2H3/t20-,22-/m0/s1
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| InChIKey |
PTHKZKTYSDDBIQ-UNMCSNQZSA-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