General Information of the Compound
| Compound ID |
CP0467375
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| Compound Name |
2-[3-ethyl-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 |
C36H36N4O4
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| Molecular Weight |
588.708
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| Canonical SMILES |
CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
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| InChI |
InChI=1S/C36H36N4O4/c1-4-36(24-32(41)37-27-16-8-5-9-17-27)34(43)38(25-33(42)39(26(2)3)28-18-10-6-11-19-28)30-22-14-15-23-31(30)40(35(36)44)29-20-12-7-13-21-29/h5-23,26H,4,24-25H2,1-3H3,(H,37,41)
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| InChIKey |
SXXOCXCOHMDHPD-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