General Information of the Compound
| Compound ID |
CP0874292
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| Compound Name |
(S)-(2-(2-chloro-5-methoxybenzyl)pyrrolidin-1-yl)(2-methyl-5-(m-tolyl)thiazol-4-yl)methanone
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| Structure |
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| Formula |
C24H25ClN2O2S
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| Molecular Weight |
440.996
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| Canonical SMILES |
COc1ccc(Cl)c(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2cccc(C)c2)c1
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| InChI |
InChI=1S/C24H25ClN2O2S/c1-15-6-4-7-17(12-15)23-22(26-16(2)30-23)24(28)27-11-5-8-19(27)13-18-14-20(29-3)9-10-21(18)25/h4,6-7,9-10,12,14,19H,5,8,11,13H2,1-3H3/t19-/m0/s1
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| InChIKey |
BRWKIPBVEZGBLX-IBGZPJMESA-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