General Information of the Compound
| Compound ID |
CP0422931
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| Compound Name |
10-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
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| Formula |
C21H24N6O2
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| Molecular Weight |
392.463
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| Canonical SMILES |
Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C21H24N6O2/c1-24-18-17(19(28)25(2)21(24)29)27-11-6-5-10-26(20(27)23-18)12-9-14-13-22-16-8-4-3-7-15(14)16/h3-4,7-8,13,22H,5-6,9-12H2,1-2H3
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| InChIKey |
XKPHBCFXKXEQEO-UHFFFAOYSA-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: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor