General Information of the Compound
| Compound ID |
CP0382195
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| Compound Name |
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H25FN4O2
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| Molecular Weight |
456.521
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| Canonical SMILES |
Fc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H25FN4O2/c28-20-10-3-1-8-18(20)19-9-2-4-11-21(19)31-27(34)24-14-7-17-32(24)26(33)16-15-25-29-22-12-5-6-13-23(22)30-25/h1-6,8-13,24H,7,14-17H2,(H,29,30)(H,31,34)/t24-/m0/s1
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| InChIKey |
IPALSRHCJWQJKQ-DEOSSOPVSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1