General Information of the Compound
| Compound ID |
CP0382191
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| Compound Name |
(2S)-1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C24H22N4O3S
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| Molecular Weight |
446.532
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| Canonical SMILES |
O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1
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| InChI |
InChI=1S/C24H22N4O3S/c29-22(16-32-24-26-18-9-2-4-12-21(18)31-24)28-15-7-11-20(28)23(30)25-17-8-1-3-10-19(17)27-13-5-6-14-27/h1-6,8-10,12-14,20H,7,11,15-16H2,(H,25,30)/t20-/m0/s1
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| InChIKey |
VMDXFVNMXKYFKW-FQEVSTJZSA-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