General Information of the Compound
| Compound ID |
CP0579327
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| Compound Name |
N-[4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
O=C(Nc1ccc(cc1)-c1nc(no1)C1CCCCC1)C1CN(Cc2cccnc2)C(=O)C1
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| InChI |
InChI=1S/C25H27N5O3/c31-22-13-20(16-30(22)15-17-5-4-12-26-14-17)24(32)27-21-10-8-19(9-11-21)25-28-23(29-33-25)18-6-2-1-3-7-18/h4-5,8-12,14,18,20H,1-3,6-7,13,15-16H2,(H,27,32)
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| InChIKey |
LBUFTPLFZMFDMN-UHFFFAOYSA-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