General Information of the Compound
| Compound ID |
CP0881710
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| Compound Name |
2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-hydroxy-phenyl)-acetamide
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| Structure |
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| Formula |
C28H34N4O4
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| Molecular Weight |
490.604
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| Canonical SMILES |
CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(O)c2)N=C(C2CCCCC2)c2ccccc21
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| InChI |
InChI=1S/C28H34N4O4/c1-28(2,3)24(34)17-31-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)30-32(27(31)36)18-25(35)29-20-12-9-13-21(33)16-20/h7-9,12-16,19,33H,4-6,10-11,17-18H2,1-3H3,(H,29,35)
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| InChIKey |
DVFKNTWLTRDSFR-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