General Information of the Compound
| Compound ID |
CP0560994
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| Compound Name |
N-[(3S,4S)-1-cyclobutyl-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 |
C27H28F2N6O3
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| Molecular Weight |
522.556
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCC2)c(F)c1
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| InChI |
InChI=1S/C27H28F2N6O3/c28-16-5-6-18(20(29)13-16)23-14-22(34-38-23)25(37)32-21-7-12-35(17-3-1-4-17)15-19(21)24(36)33-27(8-9-27)26-30-10-2-11-31-26/h2,5-6,10-11,13-14,17,19,21H,1,3-4,7-9,12,15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1
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| InChIKey |
QKLGYSXKZLVSCF-FPOVZHCZSA-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