General Information of the Compound
| Compound ID |
CP0403862
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| Compound Name |
tert-butyl N-[4-[[4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzoyl]amino]butyl]carbamate
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| Structure |
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| Formula |
C35H43N7O5
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| Molecular Weight |
641.773
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
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| InChI |
InChI=1S/C35H43N7O5/c1-35(2,3)47-34(46)38-17-7-6-16-37-32(44)26-14-12-25(13-15-26)23-40-19-21-41(22-20-40)24-30(43)42-29-11-5-4-9-27(29)33(45)39-28-10-8-18-36-31(28)42/h4-5,8-15,18H,6-7,16-17,19-24H2,1-3H3,(H,37,44)(H,38,46)(H,39,45)
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| InChIKey |
BPJFLYYIRYPSDC-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