General Information of the Compound
| Compound ID |
CP0502624
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| Compound Name |
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrimidin-2-ylmethanone
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| Structure |
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| Formula |
C20H23ClN4O2
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| Molecular Weight |
386.883
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| Canonical SMILES |
Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ncccn2)cc1
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| InChI |
InChI=1S/C20H23ClN4O2/c21-17-4-2-16(3-5-17)14-24-10-6-20(7-11-24)15-25(12-13-27-20)19(26)18-22-8-1-9-23-18/h1-5,8-9H,6-7,10-15H2
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| InChIKey |
HZQKLJHETYZKDH-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3