General Information of the Compound
| Compound ID |
CP0448547
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| Compound Name |
4-bromo-N-[(1R,2R)-6-[[N-[2-(4-fluorophenyl)ethyl]-C-methylcarbonimidoyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
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| Structure |
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| Formula |
C26H25BrFN3O2
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| Molecular Weight |
510.407
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| Canonical SMILES |
C\C(NCCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1
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| InChI |
InChI=1S/C26H25BrFN3O2/c1-16(29-13-12-17-2-9-21(28)10-3-17)30-22-11-6-19-14-24(32)25(23(19)15-22)31-26(33)18-4-7-20(27)8-5-18/h2-11,15,24-25,32H,12-14H2,1H3,(H,29,30)(H,31,33)/t24-,25-/m1/s1
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| InChIKey |
FHYBLIBOSNBUPM-JWQCQUIFSA-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