General Information of the Compound
| Compound ID |
CP0453799
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| Compound Name |
(1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16,18,20-heptaen-13-ol
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| Structure |
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| Formula |
C25H28N2O3
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| Molecular Weight |
404.51
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| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
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| InChI |
InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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| InChIKey |
DKBVVKQGKJTCLS-NQHRYMMQSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor