General Information of the Compound
| Compound ID |
CP0537076
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[[(1S)-2-hydroxy-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 |
C30H34F2N4O4
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| Molecular Weight |
552.622
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| Canonical SMILES |
OC[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/C30H34F2N4O4/c31-20-11-12-22(24(32)15-20)28-16-26(35-40-28)30(39)33-25-13-14-36(21-9-5-2-6-10-21)17-23(25)29(38)34-27(18-37)19-7-3-1-4-8-19/h1,3-4,7-8,11-12,15-16,21,23,25,27,37H,2,5-6,9-10,13-14,17-18H2,(H,33,39)(H,34,38)/t23-,25-,27+/m0/s1
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| InChIKey |
YALDVBFKMVLJRU-SCTDOJESSA-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