General Information of the Compound
| Compound ID |
CP0435649
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| Compound Name |
2-[6-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid
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| Structure |
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| Formula |
C31H36N6O5
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| Molecular Weight |
572.666
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| Canonical SMILES |
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3cnn(CC(O)=O)c3c2)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C31H36N6O5/c1-31(2,3)26(38)17-35-24-12-8-7-11-23(24)29(20-9-5-4-6-10-20)34-37(30(35)42)18-27(39)33-22-14-13-21-16-32-36(19-28(40)41)25(21)15-22/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,33,39)(H,40,41)
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| InChIKey |
ABYTWJURXOUFNH-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