General Information of the Compound
| Compound ID |
CP0517205
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| Compound Name |
N-[(3S,4S)-1-acetyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Formula |
C25H24F2N6O4
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| Molecular Weight |
510.501
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| Canonical SMILES |
CC(=O)N1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1
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| InChI |
InChI=1S/C25H24F2N6O4/c1-14(34)33-10-5-19(17(13-33)22(35)31-25(6-7-25)24-28-8-2-9-29-24)30-23(36)20-12-21(37-32-20)16-4-3-15(26)11-18(16)27/h2-4,8-9,11-12,17,19H,5-7,10,13H2,1H3,(H,30,36)(H,31,35)/t17-,19-/m0/s1
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| InChIKey |
JRPGBVWRZIOUHS-HKUYNNGSSA-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