General Information of the Compound
| Compound ID |
CP0576224
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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-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C27H33FN4O3
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| Molecular Weight |
480.584
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| Canonical SMILES |
CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1F
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| InChI |
InChI=1S/C27H33FN4O3/c1-29-25(34)24-10-8-19(15-30-24)22-9-7-18(13-23(22)28)16-31-17-21(33)14-27(31)11-12-32(26(27)35)20-5-3-2-4-6-20/h7-10,13,15,20-21,33H,2-6,11-12,14,16-17H2,1H3,(H,29,34)/t21-,27+/m1/s1
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| InChIKey |
FUMCSSVPQDRJAY-ZBLYBZFDSA-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