General Information of the Compound
| Compound ID |
CP0373455
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| Compound Name |
6-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxyphenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H37N5O4
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| Molecular Weight |
543.668
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H37N5O4/c1-4-15-35-27-21-26(32-28(27)30(38)36(16-5-2)31(35)39)23-11-13-25(14-12-23)40-22(3)29(37)34-19-17-33(18-20-34)24-9-7-6-8-10-24/h6-14,21-22,32H,4-5,15-20H2,1-3H3
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| InChIKey |
HGCVDYJWBKDNNU-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