General Information of the Compound
| Compound ID |
CP0465358
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| Compound Name |
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H24Cl2F3N3O4
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| Molecular Weight |
522.351
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| Canonical SMILES |
Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F
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| InChI |
InChI=1S/C22H24Cl2F3N3O4/c1-29-12-16(17(9-20(29)32)22(25,26)27)21(33)28-10-13(31)11-30-6-4-14(5-7-30)34-15-2-3-18(23)19(24)8-15/h2-3,8-9,12-14,31H,4-7,10-11H2,1H3,(H,28,33)/t13-/m1/s1
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| InChIKey |
FLTAIVXWWOKLBO-CYBMUJFWSA-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