General Information of the Compound
| Compound ID |
CP0484598
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| Compound Name |
N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H27N3O3/c30-26(23-7-8-24-25(15-23)32-18-31-24)28-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-29-11-9-27-10-12-29/h1-8,13-15,27H,9-12,16-18H2,(H,28,30)
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| InChIKey |
WQMYHVQXLJIIHO-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3