General Information of the Compound
| Compound ID |
CP0424130
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| Compound Name |
2-[2,4-Dioxo-5-phenyl-3-(3-phenyl-ureido)-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C34H33N5O5
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| Molecular Weight |
591.668
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| Canonical SMILES |
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
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| InChI |
InChI=1S/C34H33N5O5/c1-23(2)38(26-18-20-27(44-3)21-19-26)30(40)22-37-28-16-10-11-17-29(28)39(25-14-8-5-9-15-25)33(42)31(32(37)41)36-34(43)35-24-12-6-4-7-13-24/h4-21,23,31H,22H2,1-3H3,(H2,35,36,43)
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| InChIKey |
GAUFCDPHSYEFLM-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