General Information of the Compound
| Compound ID |
CP0577073
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| Compound Name |
6-(2-chloro-5-fluorophenyl)-N-[[6-(cyclohexylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
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| Structure |
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| Formula |
C25H32ClFN4
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| Molecular Weight |
443.01
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| Canonical SMILES |
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
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| InChI |
InChI=1S/C25H32ClFN4/c26-22-7-6-20(27)14-21(22)23-8-9-24(30-29-23)28-16-19-15-25(19)10-12-31(13-11-25)17-18-4-2-1-3-5-18/h6-9,14,18-19H,1-5,10-13,15-17H2,(H,28,30)
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| InChIKey |
UVCHETWFSHFZKO-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: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01736, Muscarinic acetylcholine receptor M4