General Information of the Compound
| Compound ID |
CP0514870
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| Compound Name |
CHEMBL1223939
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| Formula |
C23H34N2O5S
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| Molecular Weight |
450.601
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| Canonical SMILES |
CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O
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| InChI |
InChI=1S/C23H34N2O5S/c1-4-15-29-18-7-11-23(2,12-8-18)24-13-9-17(10-14-24)25-20-16-19(31(3,27)28)5-6-21(20)30-22(25)26/h5-6,16-18H,4,7-15H2,1-3H3/t18-,23-
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| InChIKey |
QVMLFGHAVILTTL-RXAXNXDRSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5