General Information of the Compound
| Compound ID |
CP0462533
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| Compound Name |
(2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-phenylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H20N4O2S
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| Molecular Weight |
380.473
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| Canonical SMILES |
O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H20N4O2S/c25-18(13-27-20-22-15-9-4-5-10-16(15)23-20)24-12-6-11-17(24)19(26)21-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,26)(H,22,23)/t17-/m0/s1
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| InChIKey |
VRINBNQEDRRWEB-KRWDZBQOSA-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