General Information of the Compound
| Compound ID |
CP0413709
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| Compound Name |
N-[(1R,2R)-6-[1-[(4-fluorophenyl)methyl-methylamino]ethylideneamino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
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| Formula |
C27H28FN3O2
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| Molecular Weight |
445.538
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1
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| InChI |
InChI=1S/C27H28FN3O2/c1-17-4-8-20(9-5-17)27(33)30-26-24-15-23(13-10-21(24)14-25(26)32)29-18(2)31(3)16-19-6-11-22(28)12-7-19/h4-13,15,25-26,32H,14,16H2,1-3H3,(H,30,33)/b29-18+/t25-,26-/m1/s1
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| InChIKey |
YMTIKNJPMOZWQC-KKCBMOPLSA-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