General Information of the Compound
| Compound ID |
CP0210724
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| Compound Name |
N-[1-[2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H36F3N3O3
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| Molecular Weight |
519.608
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H35N3O.C2HF3O2/c1-2-26(30)29(22-8-4-3-5-9-22)23-14-17-28(18-15-23)16-13-20-11-12-24-21(19-20)7-6-10-25(24)27;3-2(4,5)1(6)7/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3;(H,6,7)/t25-;/m1./s1
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| InChIKey |
SMAWFPGDIFNKKB-VQIWEWKSSA-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