General Information of the Compound
| Compound ID |
CP0088845
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| Compound Name |
1-[[1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C26H31FN2O4
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| Molecular Weight |
454.542
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| Canonical SMILES |
OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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| InChIKey |
SDMQRKFIXCWCQU-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