General Information of the Compound
| Compound ID |
CP0377906
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| Compound Name |
2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
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| Structure |
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| Formula |
C30H36N8O3
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| Molecular Weight |
556.671
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| Canonical SMILES |
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C30H36N8O3/c1-30(2,3)25(39)18-37-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)34-38(29(37)41)19-27(40)31-22-13-9-10-20(16-22)17-26-32-35-36-33-26/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,40)(H,32,33,35,36)
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| InChIKey |
RTINXANTUWQPRL-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