General Information of the Compound
| Compound ID |
CP0515571
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| Compound Name |
N-[4-(2-fluoroethoxy)-7-morpholin-4-yl-1,3-benzothiazol-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
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| Formula |
C20H27FN4O4S
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| Molecular Weight |
438.525
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| Canonical SMILES |
CC1(O)CCN(CC1)C(=O)Nc1nc2c(OCCF)ccc(N3CCOCC3)c2s1
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| InChI |
InChI=1S/C20H27FN4O4S/c1-20(27)4-7-25(8-5-20)19(26)23-18-22-16-15(29-11-6-21)3-2-14(17(16)30-18)24-9-12-28-13-10-24/h2-3,27H,4-13H2,1H3,(H,22,23,26)
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| InChIKey |
FKAMJDQVNRCUNU-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