General Information of the Compound
| Compound ID |
CP0107231
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| Compound Name |
3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl]-phenol
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| Structure |
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| Formula |
C22H29NO
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| Molecular Weight |
323.48
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| Canonical SMILES |
C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
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| InChI |
InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1
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| InChIKey |
QZUYFNRMMUUWLX-PGRDOPGGSA-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