General Information of the Compound
| Compound ID |
CP0382190
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| Compound Name |
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/m0/s1
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| InChIKey |
DOWZNQOSUNYIHR-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