General Information of the Compound
| Compound ID |
CP0443620
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| Compound Name |
4-[3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ncccc2[nH]c1=O
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| InChI |
InChI=1S/C22H25N5O3/c28-20-15-30-19-7-2-1-6-18(19)26(20)12-4-11-25-13-8-16(9-14-25)27-21-17(24-22(27)29)5-3-10-23-21/h1-3,5-7,10,16H,4,8-9,11-15H2,(H,24,29)
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| InChIKey |
SBDMNEFWICEEMT-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: PT01005, D(2) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2