General Information of the Compound
| Compound ID |
CP0460799
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| Compound Name |
2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-(4-hydroxyphenyl)-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C33H31N5O5
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| Molecular Weight |
577.641
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C33H31N5O5/c1-22(2)37(25-17-19-26(39)20-18-25)29(40)21-36-27-15-9-10-16-28(27)38(24-13-7-4-8-14-24)32(42)30(31(36)41)35-33(43)34-23-11-5-3-6-12-23/h3-20,22,30,39H,21H2,1-2H3,(H2,34,35,43)
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| InChIKey |
JPSKDACFMPXNMN-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