General Information of the Compound
| Compound ID |
CP0865055
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| Compound Name |
5-((1R,5S)-8-Acetyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-N-(3-chloro-4-methoxybenzyl)nicotinamide
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| Structure |
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| Formula |
C32H33ClN4O5
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| Molecular Weight |
589.092
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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)OCO3)cc1Cl
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| InChI |
InChI=1S/C32H33ClN4O5/c1-19(38)37-17-22-3-6-25(37)12-23(9-22)24-13-26(32(39)36-15-20-4-7-28(40-2)27(33)10-20)31(35-16-24)34-14-21-5-8-29-30(11-21)42-18-41-29/h4-5,7-11,13,16,22,25H,3,6,12,14-15,17-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,25+/m0/s1
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| InChIKey |
GDOLGSKDRGJCRN-WIOPSUGQSA-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