General Information of the Compound
| Compound ID |
CP0317131
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| Compound Name |
(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
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| Synonyms |
ML375
VU0483253-3
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| Structure |
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| Formula |
C23H15ClF2N2O2
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| Molecular Weight |
424.834
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| Canonical SMILES |
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1
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| InChIKey |
GXBAKXRLQAPKEE-QHCPKHFHSA-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: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Protein ID: PT03292, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound
Drug 1 ( ML375 )
| Drug Name | ML375 | ||
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