General Information of the Compound
| Compound ID |
CP0416746
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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-phenylbenzamide
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| Formula |
C32H30FN3O2
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| Molecular Weight |
507.609
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1
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| InChI |
InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/b34-21+/t30-,31-/m1/s1
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| InChIKey |
KOQVBYSCBCRVQJ-SVUXJTORSA-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