General Information of the Compound
| Compound ID |
CP0438224
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| Compound Name |
N-[1-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-(3,4-difluorophenyl)propanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C27H32F5N3O3
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| Molecular Weight |
541.561
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H31F2N3O.C2HF3O2/c1-2-25(31)30(20-7-9-22(26)23(27)15-20)19-10-12-29(13-11-19)16-17-6-8-21-18(14-17)4-3-5-24(21)28;3-2(4,5)1(6)7/h6-9,14-15,19,24H,2-5,10-13,16,28H2,1H3;(H,6,7)/t24-;/m1./s1
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| InChIKey |
PHOLQTOCUNZALP-GJFSDDNBSA-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