General Information of the Compound
| Compound ID |
CP0457344
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| Compound Name |
(1R,2R)-2-Phenyl-cyclopropanecarboxylic acid (2-benzylsulfanyl-phenyl)-(3-dimethylamino-propyl)-amide
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| Structure |
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| Formula |
C28H32N2OS
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| Molecular Weight |
444.644
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| Canonical SMILES |
CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1
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| InChI |
InChI=1S/C28H32N2OS/c1-29(2)18-11-19-30(28(31)25-20-24(25)23-14-7-4-8-15-23)26-16-9-10-17-27(26)32-21-22-12-5-3-6-13-22/h3-10,12-17,24-25H,11,18-21H2,1-2H3/t24-,25+/m0/s1
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| InChIKey |
ZUZMNLOLVUZTAD-LOSJGSFVSA-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