General Information of the Compound
| Compound ID |
CP0501979
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| Compound Name |
(2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-(3-phenylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H24N4O2S
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| Molecular Weight |
456.571
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| Canonical SMILES |
O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-12-4-5-13-22(21)29-26)30-15-7-14-23(30)25(32)27-20-11-6-10-19(16-20)18-8-2-1-3-9-18/h1-6,8-13,16,23H,7,14-15,17H2,(H,27,32)(H,28,29)/t23-/m0/s1
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| InChIKey |
MVHHEYKAGNMTPY-QHCPKHFHSA-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