General Information of the Compound
| Compound ID |
CP0155279
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| Compound Name |
(1R,12R,13S,17R,21S)-12-ethyl-18-methyl-10,18-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10-pentaene
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| Structure |
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| Formula |
C22H28N2
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| Molecular Weight |
320.48
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| Canonical SMILES |
CC[C@@H]1[C@H]2CCC[C@@H]3[C@@H]2[C@@H](CCN3C)c2cc3ccccc3nc12
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| InChI |
InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1
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| InChIKey |
KEJODPUXDHGKCO-ZUKOONMSSA-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