General Information of the Compound
| Compound ID |
CP0574635
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| Compound Name |
N-[(3S,4S)-1-(3,3-difluorocyclobutyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Formula |
C27H26F4N6O3
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| Molecular Weight |
558.536
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CC(F)(F)C2)c(F)c1
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| InChI |
InChI=1S/C27H26F4N6O3/c28-15-2-3-17(19(29)10-15)22-11-21(36-40-22)24(39)34-20-4-9-37(16-12-27(30,31)13-16)14-18(20)23(38)35-26(5-6-26)25-32-7-1-8-33-25/h1-3,7-8,10-11,16,18,20H,4-6,9,12-14H2,(H,34,39)(H,35,38)/t18-,20-/m0/s1
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| InChIKey |
JMQQKOOATRBQER-ICSRJNTNSA-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