General Information of the Compound
| Compound ID |
CP0537172
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| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-[(1-methylcyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C28H30F2N6O3
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| Molecular Weight |
536.583
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| Canonical SMILES |
CC1(CN2CC[C@H](NC(=O)c3cc(on3)-c3ccc(F)cc3F)[C@H](C2)C(=O)NC2(CC2)c2ncccn2)CC1
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| InChI |
InChI=1S/C28H30F2N6O3/c1-27(6-7-27)16-36-12-5-21(19(15-36)24(37)34-28(8-9-28)26-31-10-2-11-32-26)33-25(38)22-14-23(39-35-22)18-4-3-17(29)13-20(18)30/h2-4,10-11,13-14,19,21H,5-9,12,15-16H2,1H3,(H,33,38)(H,34,37)/t19-,21-/m0/s1
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| InChIKey |
DVJLXIAHLNHSGM-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