General Information of the Compound
| Compound ID |
CP0373199
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| Compound Name |
6-[4-[2-methyl-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 |
C32H39N5O4
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| Molecular Weight |
557.695
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C32H39N5O4/c1-5-16-36-27-22-26(33-28(27)29(38)37(17-6-2)31(36)40)23-12-14-25(15-13-23)41-32(3,4)30(39)35-20-18-34(19-21-35)24-10-8-7-9-11-24/h7-15,22,33H,5-6,16-21H2,1-4H3
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| InChIKey |
RCNXLDXCCDAYCZ-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