General Information of the Compound
| Compound ID |
CP0497828
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| Compound Name |
[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
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| Structure |
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| Formula |
C23H27ClN2O
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| Molecular Weight |
382.935
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| Canonical SMILES |
Clc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C23H27ClN2O/c24-21-8-4-5-19(17-21)18-25-13-9-23(10-14-25)11-15-26(16-12-23)22(27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2
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| InChIKey |
RTOVDRRASKFSTF-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