General Information of the Compound
| Compound ID |
CP0381409
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| Compound Name |
11-[2-[(4aS,8aR)-4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12
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| InChI |
InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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| InChIKey |
PJRZQQXWGYRGCW-VQTJNVASSA-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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4