General Information of the Compound
| Compound ID |
CP0489816
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| Compound Name |
[(2S,6S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
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| Structure |
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| Formula |
C25H25FN4O2S
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| Molecular Weight |
464.566
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| Canonical SMILES |
C[C@H]1CCC[C@@H](CNc2nc3ccccc3o2)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H25FN4O2S/c1-15-6-5-7-19(14-27-25-29-20-8-3-4-9-21(20)32-25)30(15)24(31)22-23(33-16(2)28-22)17-10-12-18(26)13-11-17/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,27,29)/t15-,19-/m0/s1
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| InChIKey |
FVXDIUWLPYTCGR-KXBFYZLASA-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