General Information of the Compound
| Compound ID |
CP0406182
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| Compound Name |
2-(2-piperazin-1-ylacetyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
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| Structure |
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| Formula |
C17H18N6O2
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| Molecular Weight |
338.371
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| Canonical SMILES |
O=C(CN1CCNCC1)N1c2ncccc2NC(=O)c2cccnc12
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| InChI |
InChI=1S/C17H18N6O2/c24-14(11-22-9-7-18-8-10-22)23-15-12(3-1-5-19-15)17(25)21-13-4-2-6-20-16(13)23/h1-6,18H,7-11H2,(H,21,25)
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| InChIKey |
NBCWZNPNBJLXDI-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: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4