General Information of the Compound
| Compound ID |
CP0384741
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| Compound Name |
4-bromo-N-[(1R,2R)-6-[[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
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| Structure |
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| Formula |
C25H23BrFN3O2
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| Molecular Weight |
496.38
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| Canonical SMILES |
C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1
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| InChI |
InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-2-9-20(27)10-3-16)29-21-11-6-18-12-23(31)24(22(18)13-21)30-25(32)17-4-7-19(26)8-5-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
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| InChIKey |
JVWDGMMGXIGYDW-DNQXCXABSA-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: PT01156, Muscarinic acetylcholine receptor M4