General Information of the Compound
| Compound ID |
CP0463042
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| Compound Name |
3-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]benzoic acid
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| Structure |
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| Formula |
C35H38N4O5
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| Molecular Weight |
594.712
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| Canonical SMILES |
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccc(c2)C(O)=O)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C35H38N4O5/c1-35(2,3)30(40)21-38-29-18-8-7-17-28(29)32(23-11-5-4-6-12-23)37-39(34(38)44)22-31(41)36-27-16-10-14-25(20-27)24-13-9-15-26(19-24)33(42)43/h7-10,13-20,23H,4-6,11-12,21-22H2,1-3H3,(H,36,41)(H,42,43)
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| InChIKey |
WFEXFFRNIOUBQX-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