General Information of the Compound
| Compound ID |
CP0431640
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| Compound Name |
(4R)-5-oxo-5-(N-[2-oxo-2-(N-propan-2-ylanilino)ethyl]anilino)-4-(phenylcarbamoylamino)pentanoic acid
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| Structure |
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| Formula |
C29H32N4O5
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| Molecular Weight |
516.598
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| Canonical SMILES |
CC(C)N(C(=O)CN(C(=O)[C@@H](CCC(O)=O)NC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H32N4O5/c1-21(2)33(24-16-10-5-11-17-24)26(34)20-32(23-14-8-4-9-15-23)28(37)25(18-19-27(35)36)31-29(38)30-22-12-6-3-7-13-22/h3-17,21,25H,18-20H2,1-2H3,(H,35,36)(H2,30,31,38)/t25-/m1/s1
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| InChIKey |
UYHYPASNCCHSSE-RUZDIDTESA-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