General Information of the Compound
| Compound ID |
CP0517204
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C30H35F2N5O3
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| Molecular Weight |
551.638
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| Canonical SMILES |
CC(C)(NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C30H35F2N5O3/c1-30(2,27-10-6-7-14-33-27)35-28(38)22-18-37(20-8-4-3-5-9-20)15-13-24(22)34-29(39)25-17-26(40-36-25)21-12-11-19(31)16-23(21)32/h6-7,10-12,14,16-17,20,22,24H,3-5,8-9,13,15,18H2,1-2H3,(H,34,39)(H,35,38)/t22-,24-/m0/s1
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| InChIKey |
RAIGYWMMZVOOQS-UPVQGACJSA-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