General Information of the Compound
| Compound ID |
CP0394570
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| Compound Name |
(2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C28H28N4O2/c1-31-24-15-8-7-14-23(24)29-26(31)17-18-27(33)32-19-9-16-25(32)28(34)30-22-13-6-5-12-21(22)20-10-3-2-4-11-20/h2-8,10-15,25H,9,16-19H2,1H3,(H,30,34)/t25-/m0/s1
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| InChIKey |
SZNRFIIJAQIFOJ-VWLOTQADSA-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