General Information of the Compound
| Compound ID |
CP0846158
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| Compound Name |
N-{3-[(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropyl}-N'-(phenylmethyl)urea
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| Formula |
C31H37N3O
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| Molecular Weight |
467.657
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]1C[C@@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2
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| InChI |
InChI=1S/C31H37N3O/c1-34-28-17-18-29(34)20-25(19-28)21-31(26-13-7-3-8-14-26,27-15-9-4-10-16-27)23-33-30(35)32-22-24-11-5-2-6-12-24/h2-16,25,28-29H,17-23H2,1H3,(H2,32,33,35)/t25-,28+,29-
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| InChIKey |
RDSXSJQZTCPEAY-GXZPSDDCSA-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: PT01266, Muscarinic acetylcholine receptor M3