General Information of the Compound
| Compound ID |
CP0372529
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| Compound Name |
(+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-6,8-diazabicyclo[3.2.2]nonan-8-yl}propan-1-one
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| Structure |
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| Formula |
C22H29Cl2N3O2
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| Molecular Weight |
438.399
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| Canonical SMILES |
CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
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| InChI |
InChI=1S/C22H29Cl2N3O2/c1-2-21(28)26-14-20-19(25-9-3-4-10-25)8-6-16(26)13-27(20)22(29)12-15-5-7-17(23)18(24)11-15/h5,7,11,16,19-20H,2-4,6,8-10,12-14H2,1H3/t16-,19+,20+/m1/s1
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| InChIKey |
OVUUJSWTQQWBBJ-UXPWSPDFSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor