General Information of the Compound
| Compound ID |
CP0894634
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| Compound Name |
13-methylcarbonyloxy-20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(7),3,5,12,14-pentaen-4-yl acetate
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| Structure |
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| Formula |
C23H23NO4
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| Molecular Weight |
377.44
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| Canonical SMILES |
CC(=O)Oc1ccc2c(c1)[C@H]1c3cc(OC(C)=O)ccc3[C@H](C2)N2CCC[C@@H]12
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| InChI |
InChI=1S/C23H23NO4/c1-13(25)27-16-6-5-15-10-22-18-8-7-17(28-14(2)26)12-20(18)23(19(15)11-16)21-4-3-9-24(21)22/h5-8,11-12,21-23H,3-4,9-10H2,1-2H3/t21-,22-,23-/m0/s1
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| InChIKey |
LEUSRYWDDZEBKQ-VABKMULXSA-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