General Information of the Compound
| Compound ID |
CP0444886
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| Compound Name |
N-[(3S,4S)-3-(benzylcarbamoyl)-1-cyclohexylpiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C29H32F2N4O3
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| Molecular Weight |
522.596
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| Canonical SMILES |
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NCc2ccccc2)C2CCCCC2)c(F)c1
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| InChI |
InChI=1S/C29H32F2N4O3/c30-20-11-12-22(24(31)15-20)27-16-26(34-38-27)29(37)33-25-13-14-35(21-9-5-2-6-10-21)18-23(25)28(36)32-17-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,15-16,21,23,25H,2,5-6,9-10,13-14,17-18H2,(H,32,36)(H,33,37)/t23-,25-/m0/s1
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| InChIKey |
FVQJXTBUZRFLEB-ZCYQVOJMSA-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