General Information of the Compound
| Compound ID |
CP0853721
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| Compound Name |
(S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(2-(3,4-dimethoxybenzyl)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-n2nccn2)cc1OC
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| InChI |
InChI=1S/C22H24N4O3/c1-28-20-10-9-16(15-21(20)29-2)14-17-6-5-13-25(17)22(27)18-7-3-4-8-19(18)26-23-11-12-24-26/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3/t17-/m0/s1
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| InChIKey |
RXFUFAWTDDTAMN-KRWDZBQOSA-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