General Information of the Compound
| Compound ID |
CP0382193
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| Compound Name |
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1
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| InChI |
InChI=1S/C25H25N5O2/c31-24(14-13-23-26-18-8-1-2-9-19(18)27-23)30-17-7-12-22(30)25(32)28-20-10-3-4-11-21(20)29-15-5-6-16-29/h1-6,8-11,15-16,22H,7,12-14,17H2,(H,26,27)(H,28,32)/t22-/m0/s1
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| InChIKey |
WMBSUDUVFFGTTA-QFIPXVFZSA-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