General Information of the Compound
| Compound ID |
CP0495605
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| Compound Name |
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
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| Structure |
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| Formula |
C23H21F2N7O
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| Molecular Weight |
449.465
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| Canonical SMILES |
CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-c1ncccn1
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| InChI |
InChI=1S/C23H21F2N7O/c1-3-31(15(2)14-32-29-21(28-30-32)16-5-7-17(24)8-6-16)23(33)20-13-18(25)9-10-19(20)22-26-11-4-12-27-22/h4-13,15H,3,14H2,1-2H3/t15-/m0/s1
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| InChIKey |
TYHOOCFBPYQMCS-HNNXBMFYSA-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