General Information of the Compound
| Compound ID |
CP0455308
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| Compound Name |
N-[(2S)-1-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
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| Structure |
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| Formula |
C23H24FN7O
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| Molecular Weight |
433.491
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| Canonical SMILES |
CC[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
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| InChIKey |
VFSSJHGGWPJHRS-SFHVURJKSA-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