General Information of the Compound
| Compound ID |
CP0920847
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| Compound Name |
4-(1-cyclohexyl-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)-butyramide
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| Structure |
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| Formula |
C32H38N6O6
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| Molecular Weight |
602.692
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| Canonical SMILES |
CC(C)(C)C(=O)CN1C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C(=O)N(C2CCCCC2)c2ccccc21
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| InChI |
InChI=1S/C32H38N6O6/c1-32(2,3)26(39)20-37-24-15-7-8-16-25(24)38(23-13-5-4-6-14-23)31(43)36(30(37)42)18-10-17-27(40)33-22-12-9-11-21(19-22)28-34-29(41)44-35-28/h7-9,11-12,15-16,19,23H,4-6,10,13-14,17-18,20H2,1-3H3,(H,33,40)(H,34,35,41)
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| InChIKey |
RLKUXRWOAPPZQB-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