General Information of the Compound
| Compound ID |
CP0873715
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| Compound Name |
5-(8-Acetyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-N-(3-chloro-4-methoxybenzyl)-2-(((2,3-dihydrobenzofuran-6-yl)methyl)amino)nicotinamide
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| Structure |
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| Formula |
C33H35ClN4O4
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| Molecular Weight |
587.12
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| Canonical SMILES |
COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl
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| InChI |
InChI=1S/C33H35ClN4O4/c1-20(39)38-19-23-4-7-27(38)14-25(11-23)26-15-28(33(40)37-17-21-5-8-30(41-2)29(34)12-21)32(36-18-26)35-16-22-3-6-24-9-10-42-31(24)13-22/h3,5-6,8,11-13,15,18,23,27H,4,7,9-10,14,16-17,19H2,1-2H3,(H,35,36)(H,37,40)/t23-,27+/m0/s1
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| InChIKey |
CDFLQKRRMHGIEK-WNCULLNHSA-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