General Information of the Compound
| Compound ID |
CP0554598
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| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H22F2N6O3
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| Molecular Weight |
468.464
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCNC[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1
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| InChI |
InChI=1S/C23H22F2N6O3/c24-13-2-3-14(16(25)10-13)19-11-18(31-34-19)21(33)29-17-4-9-26-12-15(17)20(32)30-23(5-6-23)22-27-7-1-8-28-22/h1-3,7-8,10-11,15,17,26H,4-6,9,12H2,(H,29,33)(H,30,32)/t15-,17-/m0/s1
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| InChIKey |
XTOPLDDLOJUXKM-RDJZCZTQSA-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