General Information of the Compound
| Compound ID |
CP0457209
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| Compound Name |
1-[(1S)-2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
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| Structure |
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| Formula |
C19H22Br2N2O
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| Molecular Weight |
454.206
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| Canonical SMILES |
Brc1cc(Br)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m1/s1
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| InChIKey |
PYALTOQQRPEMLM-LJQANCHMSA-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