General Information of the Compound
| Compound ID |
CP0437070
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| Compound Name |
3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
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| Structure |
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| Formula |
C29H33N5O5
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| Molecular Weight |
531.613
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
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| InChI |
InChI=1S/C29H33N5O5/c35-25(30-22-12-8-11-21(17-22)28(37)38)18-34-29(39)33(19-26(36)32-15-6-7-16-32)24-14-5-4-13-23(24)27(31-34)20-9-2-1-3-10-20/h4-5,8,11-14,17,20H,1-3,6-7,9-10,15-16,18-19H2,(H,30,35)(H,37,38)
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| InChIKey |
UXINEYOTANXNMI-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