General Information of the Compound
| Compound ID |
CP0444872
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| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-(2-methoxyethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C26H28F2N6O4
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| Molecular Weight |
526.544
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| Canonical SMILES |
COCCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1
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| InChI |
InChI=1S/C26H28F2N6O4/c1-37-12-11-34-10-5-20(18(15-34)23(35)32-26(6-7-26)25-29-8-2-9-30-25)31-24(36)21-14-22(38-33-21)17-4-3-16(27)13-19(17)28/h2-4,8-9,13-14,18,20H,5-7,10-12,15H2,1H3,(H,31,36)(H,32,35)/t18-,20-/m0/s1
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| InChIKey |
PIQMJKKBIXUIDS-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