General Information of the Compound
| Compound ID |
CP0357206
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| Compound Name |
N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CCC(=O)N(C1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/s1
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| InChIKey |
FDNVARBCVAIKSE-DEOSSOPVSA-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor