General Information of the Compound
| Compound ID |
CP0557144
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C28H31F2N5O3
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| Molecular Weight |
523.584
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NCc2ccccn2)C2CCCCC2)c(F)c1
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| InChI |
InChI=1S/C28H31F2N5O3/c29-18-9-10-21(23(30)14-18)26-15-25(34-38-26)28(37)33-24-11-13-35(20-7-2-1-3-8-20)17-22(24)27(36)32-16-19-6-4-5-12-31-19/h4-6,9-10,12,14-15,20,22,24H,1-3,7-8,11,13,16-17H2,(H,32,36)(H,33,37)/t22-,24-/m0/s1
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| InChIKey |
GWLDIRLPGVXBJK-UPVQGACJSA-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