General Information of the Compound
| Compound ID |
CP0386006
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| Compound Name |
3-(6-(2-(benzyl(isopropyl)amino)-2-oxoethyl)-5-oxo-1-phenyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-4-ylamino)benzoic acid
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| Structure |
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| Formula |
C35H32N6O4
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| Molecular Weight |
600.679
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2cccc(c2)C(O)=O)C1=O
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| InChI |
InChI=1S/C35H32N6O4/c1-23(2)39(21-24-12-5-3-6-13-24)30(42)22-40-28-18-9-10-19-29(28)41-32(25-14-7-4-8-15-25)37-38-33(41)31(34(40)43)36-27-17-11-16-26(20-27)35(44)45/h3-20,23,31,36H,21-22H2,1-2H3,(H,44,45)
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| InChIKey |
RQXKSSUCNKSXAB-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: PT01365, Cholecystokinin receptor type A
Protein ID: PT00958, Cholecystokinin receptor type A