General Information of the Compound
| Compound ID |
CP0394568
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| Compound Name |
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/m0/s1
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| InChIKey |
SNDVIPNTBBQYTB-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