General Information of the Compound
| Compound ID |
CP0504150
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| Compound Name |
tert-butyl N-[3-oxo-3-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethylamino]propyl]carbamate
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| Structure |
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| Formula |
C28H37N7O5
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| Molecular Weight |
551.648
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C28H37N7O5/c1-28(2,3)40-27(39)31-12-10-23(36)29-13-14-33-15-17-34(18-16-33)19-24(37)35-22-9-5-4-7-20(22)26(38)32-21-8-6-11-30-25(21)35/h4-9,11H,10,12-19H2,1-3H3,(H,29,36)(H,31,39)(H,32,38)
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| InChIKey |
KKXXFAOJNXXFIB-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