General Information of the Compound
| Compound ID |
CP0372853
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| Compound Name |
11-Heptanoyloxy-N-n-propylnoraporphine
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| Synonyms |
11-Heptanoyloxy-N-n-propylnoraporphine
CHEMBL516580
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| Structure |
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| Formula |
C26H33NO2
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| Molecular Weight |
391.555
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| Canonical SMILES |
CCCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
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| InChI |
InChI=1S/C26H33NO2/c1-3-5-6-7-14-24(28)29-23-13-9-11-20-18-22-25-19(15-17-27(22)16-4-2)10-8-12-21(25)26(20)23/h8-13,22H,3-7,14-18H2,1-2H3/t22-/m1/s1
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| InChIKey |
KWMUKPVHQQVHLC-JOCHJYFZSA-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound