General Information of the Compound
| Compound ID |
CP0551804
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[[(1R)-1-phenylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C30H34F2N4O3
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| Molecular Weight |
536.623
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C30H34F2N4O3/c1-19(20-8-4-2-5-9-20)33-29(37)24-18-36(22-10-6-3-7-11-22)15-14-26(24)34-30(38)27-17-28(39-35-27)23-13-12-21(31)16-25(23)32/h2,4-5,8-9,12-13,16-17,19,22,24,26H,3,6-7,10-11,14-15,18H2,1H3,(H,33,37)(H,34,38)/t19-,24+,26+/m1/s1
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| InChIKey |
KDFYCZMOEIVZLG-LUPFDQBXSA-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