General Information of the Compound
| Compound ID |
CP0384935
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| Compound Name |
3-[[2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
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| Structure |
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| Formula |
C32H32N4O5
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| Molecular Weight |
552.631
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| Canonical SMILES |
Cc1ccccc1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C32H32N4O5/c1-21-10-5-6-15-25(21)28(37)19-35-27-17-8-7-16-26(27)30(22-11-3-2-4-12-22)34-36(32(35)41)20-29(38)33-24-14-9-13-23(18-24)31(39)40/h5-10,13-18,22H,2-4,11-12,19-20H2,1H3,(H,33,38)(H,39,40)
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| InChIKey |
AZYWHZJBCDCHPW-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