General Information of the Compound
| Compound ID |
CP0381501
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| Compound Name |
N-[(2R)-3-[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H25ClF3N3O4
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| Molecular Weight |
487.906
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| Canonical SMILES |
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H25ClF3N3O4/c1-13-8-14(23)2-3-19(13)33-16-4-6-29(7-5-16)12-15(30)10-28-21(32)17-11-27-20(31)9-18(17)22(24,25)26/h2-3,8-9,11,15-16,30H,4-7,10,12H2,1H3,(H,27,31)(H,28,32)/t15-/m1/s1
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| InChIKey |
ODKRBJGIPOQDPJ-OAHLLOKOSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2