General Information of the Compound
| Compound ID |
CP0577449
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| Compound Name |
5-[4-[[(3R,5S)-7-cyclohexyl-3-hydroxy-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]-2-fluorophenyl]-N-propan-2-ylpyridine-2-carboxamide
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| Structure |
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| Formula |
C29H37FN4O3
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| Molecular Weight |
508.638
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1F
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| InChI |
InChI=1S/C29H37FN4O3/c1-19(2)32-27(36)26-11-9-21(16-31-26)24-10-8-20(14-25(24)30)17-33-18-23(35)15-29(33)12-13-34(28(29)37)22-6-4-3-5-7-22/h8-11,14,16,19,22-23,35H,3-7,12-13,15,17-18H2,1-2H3,(H,32,36)/t23-,29+/m1/s1
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| InChIKey |
NHCJHBCCHFTXFX-BTYSJIOQSA-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