General Information of the Compound
| Compound ID |
CP0514821
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| Compound Name |
methyl (1S,9S,14E,15S,16R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COC(=O)[C@@]12CO[C@]34[C@@H]5C[C@H]1C(CN5CC[C@]23c1ccccc1N4C)=CC
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| InChI |
InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4-/t16-,18-,20-,21-,22+/m0/s1
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| InChIKey |
HAGBWVNSVWLTKY-ZFWLQQAWSA-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01791, Delta-type opioid receptor