General Information of the Compound
| Compound ID |
CP0884346
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| Compound Name |
5-(8-Acetyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-N-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(((2,3-dihydrobenzofuran-6-yl)methyl)amino)nicotinamide
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| Structure |
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| Formula |
C34H36N4O5
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| Molecular Weight |
580.685
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| Canonical SMILES |
CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2
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| InChI |
InChI=1S/C34H36N4O5/c1-21(39)38-19-23-7-9-27(38)14-25(12-23)26-15-29(34(40)37-18-28-20-42-30-4-2-3-5-31(30)43-28)33(36-17-26)35-16-22-6-8-24-10-11-41-32(24)13-22/h2-6,8,12-13,15,17,23,27-28H,7,9-11,14,16,18-20H2,1H3,(H,35,36)(H,37,40)/t23-,27+,28-/m0/s1
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| InChIKey |
YAIYAMAFXPLZQQ-LBNPDIFZSA-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04916, Growth hormone secretagogue receptor type 1