General Information of the Compound
| Compound ID |
CP0543412
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| Compound Name |
(2S,5S)-2-benzyl-5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine
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| Structure |
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| Formula |
C26H37N3O
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| Molecular Weight |
407.602
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| Canonical SMILES |
C(COc1ccc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C26H37N3O/c1-3-8-22(9-4-1)18-24-20-28-25(21-27-24)19-23-10-12-26(13-11-23)30-17-7-16-29-14-5-2-6-15-29/h1,3-4,8-13,24-25,27-28H,2,5-7,14-21H2/t24-,25-/m0/s1
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| InChIKey |
ZMNSYMPTZMDKHS-DQEYMECFSA-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