General Information of the Compound
| Compound ID |
CP0514737
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| Compound Name |
2-(((1R,5S)-6-(phenoxymethyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)benzo[d]thiazole
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| Structure |
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| Formula |
C20H20N2OS
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| Molecular Weight |
336.46
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| Canonical SMILES |
C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4ccccc4s3)C[C@H]12
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| InChI |
InChI=1S/C20H20N2OS/c1-2-6-14(7-3-1)23-13-17-15-10-22(11-16(15)17)12-20-21-18-8-4-5-9-19(18)24-20/h1-9,15-17H,10-13H2/t15-,16+,17?
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| InChIKey |
WBVLWNTYBPPISB-SJPCQFCGSA-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