General Information of the Compound
| Compound ID |
CP0412425
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| Compound Name |
1,3-bis(cyclopropylmethyl)-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H35N5O4
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| Molecular Weight |
553.663
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| Canonical SMILES |
O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C32H35N5O4/c38-29(35-16-14-34(15-17-35)25-4-2-1-3-5-25)21-41-26-12-10-24(11-13-26)27-18-28-30(33-27)31(39)37(20-23-8-9-23)32(40)36(28)19-22-6-7-22/h1-5,10-13,18,22-23,33H,6-9,14-17,19-21H2
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| InChIKey |
FZSRIJONUFLHPK-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