General Information of the Compound
| Compound ID |
CP0508633
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| Compound Name |
2-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-butyl)-isoindole-1,3-dione
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| Structure |
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| Formula |
C30H30N6O4
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| Molecular Weight |
538.608
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| Canonical SMILES |
O=C(CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C30H30N6O4/c37-26(36-25-12-4-3-10-23(25)28(38)32-24-11-7-13-31-27(24)36)20-34-18-16-33(17-19-34)14-5-6-15-35-29(39)21-8-1-2-9-22(21)30(35)40/h1-4,7-13H,5-6,14-20H2,(H,32,38)
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| InChIKey |
BVHKIDFKISASAG-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