General Information of the Compound
| Compound ID |
CP0395745
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| Compound Name |
1-[2-[(1R)-5-(5-ethylpyrimidin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(5-methoxypyridin-2-yl)ethanone
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| Structure |
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| Formula |
C30H35N5O2
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| Molecular Weight |
497.643
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| Canonical SMILES |
CCc1cnc(nc1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1
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| InChI |
InChI=1S/C30H35N5O2/c1-3-21-16-32-29(33-17-21)23-4-8-26-22(14-23)5-9-27(26)35-19-30(20-35)10-12-34(13-11-30)28(36)15-24-6-7-25(37-2)18-31-24/h4,6-8,14,16-18,27H,3,5,9-13,15,19-20H2,1-2H3/t27-/m1/s1
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| InChIKey |
JYDQZHGILUYIQT-HHHXNRCGSA-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: PT01198, Muscarinic acetylcholine receptor M2