General Information of the Compound
| Compound ID |
CP0378374
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| Compound Name |
2-[3-benzyl-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C41H38N4O4
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| Molecular Weight |
650.779
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C41H38N4O4/c1-30(2)44(33-21-11-5-12-22-33)38(47)29-43-35-25-15-16-26-36(35)45(34-23-13-6-14-24-34)40(49)41(39(43)48,27-31-17-7-3-8-18-31)28-37(46)42-32-19-9-4-10-20-32/h3-26,30H,27-29H2,1-2H3,(H,42,46)
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| InChIKey |
ZFNUKDHMOFIRFA-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