General Information of the Compound
| Compound ID |
CP0527228
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C20H16ClFN4O3S
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| Molecular Weight |
446.891
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| Canonical SMILES |
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1
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| InChI |
InChI=1S/C20H16ClFN4O3S/c1-12-15(6-8-28-12)19-24-25-20(26(19)10-14-3-2-7-29-14)30-11-18(27)23-13-4-5-17(22)16(21)9-13/h2-9H,10-11H2,1H3,(H,23,27)
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| InChIKey |
IHGQPQQSYDEEDD-UHFFFAOYSA-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