General Information of the Compound
| Compound ID |
CP0564404
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| Compound Name |
N-[4-[6-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]pyridazin-3-yl]phenyl]acetamide
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| Structure |
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| Formula |
C26H35N5O2
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| Molecular Weight |
449.599
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1
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| InChI |
InChI=1S/C26H35N5O2/c1-19(32)28-23-4-2-21(3-5-23)24-6-7-25(30-29-24)27-17-22-16-26(22)10-12-31(13-11-26)18-20-8-14-33-15-9-20/h2-7,20,22H,8-18H2,1H3,(H,27,30)(H,28,32)/t22-/m0/s1
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| InChIKey |
ZIJBOKSMUUIGCK-QFIPXVFZSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT03292, Muscarinic acetylcholine receptor M5