General Information of the Compound
| Compound ID |
CP0381497
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| Compound Name |
N-[(2R)-3-[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H24ClF3N4O3
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| Molecular Weight |
460.884
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| Canonical SMILES |
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1
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| InChI |
InChI=1S/C20H24ClF3N4O3/c1-12-8-13(21)2-3-17(12)31-15-4-6-28(7-5-15)11-14(29)9-25-19(30)16-10-26-27-18(16)20(22,23)24/h2-3,8,10,14-15,29H,4-7,9,11H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1
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| InChIKey |
LSHDMKHXFDYKLP-CQSZACIVSA-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