General Information of the Compound
| Compound ID |
CP0443146
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| Compound Name |
3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
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| Structure |
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| Formula |
C26H28N4O5
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| Molecular Weight |
476.533
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| Canonical SMILES |
CC(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C26H28N4O5/c1-17(31)15-29-22-13-6-5-12-21(22)24(18-8-3-2-4-9-18)28-30(26(29)35)16-23(32)27-20-11-7-10-19(14-20)25(33)34/h5-7,10-14,18H,2-4,8-9,15-16H2,1H3,(H,27,32)(H,33,34)
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| InChIKey |
YIJLFMDJGOFZJH-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