General Information of the Compound
| Compound ID |
CP0572606
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| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-ethyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C25H26F2N6O3
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| Molecular Weight |
496.518
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| Canonical SMILES |
CCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1
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| InChI |
InChI=1S/C25H26F2N6O3/c1-2-33-11-6-19(17(14-33)22(34)31-25(7-8-25)24-28-9-3-10-29-24)30-23(35)20-13-21(36-32-20)16-5-4-15(26)12-18(16)27/h3-5,9-10,12-13,17,19H,2,6-8,11,14H2,1H3,(H,30,35)(H,31,34)/t17-,19-/m0/s1
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| InChIKey |
CIFTVUDJNAGXBF-HKUYNNGSSA-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