General Information of the Compound
| Compound ID |
CP0496672
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| Compound Name |
4,7-dichloro-1-(3-methoxybenzyl)indoline-2,3-dione
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| Structure |
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| Formula |
C16H11Cl2NO3
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| Molecular Weight |
336.174
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| Canonical SMILES |
COc1cccc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)c1
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| InChI |
InChI=1S/C16H11Cl2NO3/c1-22-10-4-2-3-9(7-10)8-19-14-12(18)6-5-11(17)13(14)15(20)16(19)21/h2-7H,8H2,1H3
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| InChIKey |
NPOMIKJMXRXVAI-UHFFFAOYSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5