General Information of the Compound
| Compound ID |
CP0545285
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| Compound Name |
5-[5-[[(3R,5S)-7-cyclohexyl-3-hydroxy-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]-2-fluorophenyl]-N-ethylpyridine-2-carboxamide
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| Structure |
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| Formula |
C28H35FN4O3
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| Molecular Weight |
494.611
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| Canonical SMILES |
CCNC(=O)c1ccc(cn1)-c1cc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)ccc1F
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| InChI |
InChI=1S/C28H35FN4O3/c1-2-30-26(35)25-11-9-20(16-31-25)23-14-19(8-10-24(23)29)17-32-18-22(34)15-28(32)12-13-33(27(28)36)21-6-4-3-5-7-21/h8-11,14,16,21-22,34H,2-7,12-13,15,17-18H2,1H3,(H,30,35)/t22-,28+/m1/s1
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| InChIKey |
CFZAXHDAKRRCDZ-DFHRPNOPSA-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