General Information of the Compound
| Compound ID |
CP0428003
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| Compound Name |
2-(4-anilino-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl)-N-benzyl-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C34H32N6O2
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| Molecular Weight |
556.67
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2ccccc2)C1=O
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| InChI |
InChI=1S/C34H32N6O2/c1-24(2)38(22-25-14-6-3-7-15-25)30(41)23-39-28-20-12-13-21-29(28)40-32(26-16-8-4-9-17-26)36-37-33(40)31(34(39)42)35-27-18-10-5-11-19-27/h3-21,24,31,35H,22-23H2,1-2H3
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| InChIKey |
YEXFDDZWQJXAEC-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: PT01365, Cholecystokinin receptor type A