General Information of the Compound
| Compound ID |
CP0389255
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| Compound Name |
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
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| Structure |
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| Formula |
C24H24FN7O
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| Molecular Weight |
445.502
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| Canonical SMILES |
CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(C)ccc1-c1ncccn1
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| InChI |
InChI=1S/C24H24FN7O/c1-4-31(17(3)15-32-29-22(28-30-32)18-7-9-19(25)10-8-18)24(33)21-14-16(2)6-11-20(21)23-26-12-5-13-27-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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| InChIKey |
LPFZYIGBGPEIEZ-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