General Information of the Compound
| Compound ID |
CP0374369
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| Compound Name |
[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-thiophen-2-ylcarbamate
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| Structure |
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1
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| InChI |
InChI=1S/C24H26N4O4S/c1-3-11-27-19-14-18(25-21(19)22(29)28(12-4-2)24(27)31)17-9-7-16(8-10-17)15-32-23(30)26-20-6-5-13-33-20/h5-10,13-14,25H,3-4,11-12,15H2,1-2H3,(H,26,30)
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| InChIKey |
ZIVCMLMRRUTDPN-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b