General Information of the Compound
| Compound ID |
CP0558270
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| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-[(1-fluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C27H27F3N6O3
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| Molecular Weight |
540.546
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3(F)CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1
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| InChI |
InChI=1S/C27H27F3N6O3/c28-16-2-3-17(19(29)12-16)22-13-21(35-39-22)24(38)33-20-4-11-36(15-26(30)5-6-26)14-18(20)23(37)34-27(7-8-27)25-31-9-1-10-32-25/h1-3,9-10,12-13,18,20H,4-8,11,14-15H2,(H,33,38)(H,34,37)/t18-,20-/m0/s1
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| InChIKey |
MCOWERZUOCNRPO-ICSRJNTNSA-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