General Information of the Compound
| Compound ID |
CP0421473
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| Compound Name |
2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-(4-morpholin-4-ylphenyl)-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C37H38N6O5
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| Molecular Weight |
646.748
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C37H38N6O5/c1-26(2)42(30-19-17-28(18-20-30)40-21-23-48-24-22-40)33(44)25-41-31-15-9-10-16-32(31)43(29-13-7-4-8-14-29)36(46)34(35(41)45)39-37(47)38-27-11-5-3-6-12-27/h3-20,26,34H,21-25H2,1-2H3,(H2,38,39,47)
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| InChIKey |
KPROWBOLRNTBEQ-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