General Information of the Compound
| Compound ID |
CP0563822
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C29H32F2N6O3
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| Molecular Weight |
550.61
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCCCC2)c(F)c1
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| InChI |
InChI=1S/C29H32F2N6O3/c30-18-7-8-20(22(31)15-18)25-16-24(36-40-25)27(39)34-23-9-14-37(19-5-2-1-3-6-19)17-21(23)26(38)35-29(10-11-29)28-32-12-4-13-33-28/h4,7-8,12-13,15-16,19,21,23H,1-3,5-6,9-11,14,17H2,(H,34,39)(H,35,38)/t21-,23-/m0/s1
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| InChIKey |
ZXSAFSOFFNBTGX-GMAHTHKFSA-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