General Information of the Compound
| Compound ID |
CP0269069
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| Compound Name |
CHEMBL1223871
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| Formula |
C24H36N4O3
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| Molecular Weight |
428.577
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| Canonical SMILES |
CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1
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| InChI |
InChI=1S/C24H36N4O3/c1-27(2)24(30)26-18-8-6-16(7-9-18)15-28-19-10-11-20(28)14-22(13-19)31-21-5-3-4-17(12-21)23(25)29/h3-5,12,16,18-20,22H,6-11,13-15H2,1-2H3,(H2,25,29)(H,26,30)/t16-,18+,19-,20+,22+
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| InChIKey |
HEQPQHRIPVNCLE-IPRIRHEESA-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