General Information of the Compound
| Compound ID |
CP0858320
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| Compound Name |
11-{2-[[(1R,2R)-2-(Dimethylamino)cyclohexyl](methyl)amino]acetyl}-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one Dioxalate
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| Structure |
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| Formula |
C28H34N4O10
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| Molecular Weight |
586.598
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| Canonical SMILES |
CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21.O=C(O)C(=O)O.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H30N4O2.2C2H2O4/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28;2*3-1(4)2(5)6/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30);2*(H,3,4)(H,5,6)/t21-,22-;;/m1../s1
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| InChIKey |
HRTBCTVVOSBTBF-XZHZQXPNSA-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