General Information of the Compound
| Compound ID |
CP0472457
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-(4-methylpiperazine-1-carbonyl)benzamide
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| Structure |
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| Formula |
C25H29N5O4S
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| Molecular Weight |
495.605
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
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| InChI |
InChI=1S/C25H29N5O4S/c1-5-30(16(2)31)19-10-11-20(34-4)21-22(19)35-25(26-21)27-23(32)17-6-8-18(9-7-17)24(33)29-14-12-28(3)13-15-29/h6-11H,5,12-15H2,1-4H3,(H,26,27,32)
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| InChIKey |
BOVYXBFNECREEB-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b