General Information of the Compound
| Compound ID |
CP0385576
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| Compound Name |
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H21Cl2F3N4O3
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| Molecular Weight |
481.302
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| Canonical SMILES |
O[C@H](CNC(=O)c1cn[nH]c1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H21Cl2F3N4O3/c20-15-2-1-13(7-16(15)21)31-12-3-5-28(6-4-12)10-11(29)8-25-18(30)14-9-26-27-17(14)19(22,23)24/h1-2,7,9,11-12,29H,3-6,8,10H2,(H,25,30)(H,26,27)/t11-/m1/s1
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| InChIKey |
IGYNNXYCDMNULT-LLVKDONJSA-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