General Information of the Compound
| Compound ID |
CP0495881
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| Compound Name |
CHEMBL4644192
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| Formula |
C23H25F3N2O4
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| Molecular Weight |
450.457
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| Canonical SMILES |
[O-]C(=O)C(F)(F)F.C[N@@+]12CC[C@@H](CC1)[C@H](C2)OC(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C21H24N2O2.C2HF3O2/c1-23-13-11-17(12-14-23)20(15-23)25-21(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16;3-2(4,5)1(6)7/h2-10,17,20H,11-15H2,1H3;(H,6,7)/t17-,20-,23+;/m0./s1
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| InChIKey |
RTRVRBYWISDNTN-SQFUCIKYSA-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