General Information of the Compound
| Compound ID |
CP0195389
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| Compound Name |
(2S)-3-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1,1-diphenylpropan-2-amine
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| Structure |
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| Formula |
C26H31NO
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| Molecular Weight |
373.54
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| Canonical SMILES |
CN(C)[C@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H31NO/c1-20-15-21(2)17-22(16-20)18-28-19-25(27(3)4)26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-17,25-26H,18-19H2,1-4H3/t25-/m1/s1
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| InChIKey |
KYAGVGRXHALGSE-RUZDIDTESA-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