General Information of the Compound
| Compound ID |
CP0433482
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
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| Structure |
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| Formula |
C30H37N5O4S
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| Molecular Weight |
563.724
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C30H37N5O4S/c1-3-16-34-27-20-26(31-28(27)29(36)35(17-4-2)30(34)37)23-10-12-25(13-11-23)40(38,39)32-24-14-18-33(19-15-24)21-22-8-6-5-7-9-22/h5-13,20,24,31-32H,3-4,14-19,21H2,1-2H3
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| InChIKey |
ZXNALUCCGCWLRY-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: PT00840, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3