General Information of the Compound
| Compound ID |
CP0877927
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| Compound Name |
2-(1-cycloheptyl-5-(3,3-dimethyl-2-oxo-butyl)-2,4-dioxo-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl)-N-(3-(5-oxo-2,5-dihydro-[1,2,4]oxadiazol-3-yl)-phenyl)-acetamide
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| Structure |
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| Formula |
C31H36N6O6
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| Molecular Weight |
588.665
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| Canonical SMILES |
CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCCC2)c2ccccc21
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| InChI |
InChI=1S/C31H36N6O6/c1-31(2,3)25(38)18-35-23-15-8-9-16-24(23)37(22-13-6-4-5-7-14-22)30(42)36(29(35)41)19-26(39)32-21-12-10-11-20(17-21)27-33-28(40)43-34-27/h8-12,15-17,22H,4-7,13-14,18-19H2,1-3H3,(H,32,39)(H,33,34,40)
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| InChIKey |
ZRTOSCLSAJLFLV-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: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor