General Information of the Compound
| Compound ID |
CP0433236
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| Compound Name |
ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H28FN3O3
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| Molecular Weight |
377.46
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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| InChIKey |
OYZLCGDWJHDELT-QGZVFWFLSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT03292, Muscarinic acetylcholine receptor M5