General Information of the Compound
Compound ID |
CP0472285
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Compound Name |
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
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Structure |
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Formula |
C20H23N3O2
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Molecular Weight |
337.423
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Canonical SMILES |
Cn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc12
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InChI |
InChI=1S/C20H23N3O2/c1-22-20-8-7-16(11-17(20)12-21-22)13-23-9-10-24-19(14-23)15-25-18-5-3-2-4-6-18/h2-8,11-12,19H,9-10,13-15H2,1H3/t19-/m0/s1
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InChIKey |
VTMIVVXVKRPSGZ-IBGZPJMESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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