General Information of the Compound
| Compound ID |
CP0452978
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| Compound Name |
4-bromo-N-[(1R,2R)-2-hydroxy-6-[(1-methylpiperidin-2-ylidene)amino]-2,3-dihydro-1H-inden-1-yl]benzamide
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| Formula |
C22H24BrN3O2
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| Molecular Weight |
442.357
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| Canonical SMILES |
CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1
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| InChI |
InChI=1S/C22H24BrN3O2/c1-26-11-3-2-4-20(26)24-17-10-7-15-12-19(27)21(18(15)13-17)25-22(28)14-5-8-16(23)9-6-14/h5-10,13,19,21,27H,2-4,11-12H2,1H3,(H,25,28)/b24-20+/t19-,21-/m1/s1
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| InChIKey |
CBFLRMQXLNKWDG-XUQUBCKISA-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