General Information of the Compound
| Compound ID |
CP0453309
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| Compound Name |
N-[(2R)-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-4-(trifluoromethyl)-1H-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 |
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl
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| InChI |
InChI=1S/C22H24Cl2F3N3O4/c1-12-17(23)2-3-18(20(12)24)34-14-4-6-30(7-5-14)11-13(31)9-29-21(33)15-10-28-19(32)8-16(15)22(25,26)27/h2-3,8,10,13-14,31H,4-7,9,11H2,1H3,(H,28,32)(H,29,33)/t13-/m1/s1
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| InChIKey |
DLONTNINHYMHFB-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