General Information of the Compound
| Compound ID |
CP0563821
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C29H33F2N5O3
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| Molecular Weight |
537.611
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NCCc2ccccn2)C2CCCCC2)c(F)c1
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| InChI |
InChI=1S/C29H33F2N5O3/c30-19-9-10-22(24(31)16-19)27-17-26(35-39-27)29(38)34-25-12-15-36(21-7-2-1-3-8-21)18-23(25)28(37)33-14-11-20-6-4-5-13-32-20/h4-6,9-10,13,16-17,21,23,25H,1-3,7-8,11-12,14-15,18H2,(H,33,37)(H,34,38)/t23-,25-/m0/s1
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| InChIKey |
FUNYICLXDJVARY-ZCYQVOJMSA-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: PT04108, Atypical chemokine receptor 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2