General Information of the Compound
| Compound ID |
CP0537080
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| Compound Name |
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C28H30F2N6O3
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| Molecular Weight |
536.583
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CCC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1
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| InChI |
InChI=1S/C28H30F2N6O3/c29-18-5-6-19(21(30)13-18)24-14-23(35-39-24)26(38)33-22-7-12-36(15-17-3-1-4-17)16-20(22)25(37)34-28(8-9-28)27-31-10-2-11-32-27/h2,5-6,10-11,13-14,17,20,22H,1,3-4,7-9,12,15-16H2,(H,33,38)(H,34,37)/t20-,22-/m0/s1
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| InChIKey |
LIPIEXWIGGRJLF-UNMCSNQZSA-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