General Information of the Compound
| Compound ID |
CP0453537
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| Compound Name |
11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-8-sulfonic acid (2-amino-ethyl)-amide
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| Structure |
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| Formula |
C21H27N7O4S
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| Molecular Weight |
473.559
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(=O)(=O)NCCN)CC1
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| InChI |
InChI=1S/C21H27N7O4S/c1-26-9-11-27(12-10-26)14-19(29)28-18-5-4-15(33(31,32)24-8-6-22)13-16(18)21(30)25-17-3-2-7-23-20(17)28/h2-5,7,13,24H,6,8-12,14,22H2,1H3,(H,25,30)
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| InChIKey |
AIOXTPIXYCASBM-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