General Information of the Compound
| Compound ID |
CP0577515
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| Compound Name |
5-[3-[[(3R,5S)-7-cyclohexyl-3-hydroxy-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-ethylpyridine-2-carboxamide
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| Structure |
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| Formula |
C28H36N4O3
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| Molecular Weight |
476.621
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| Canonical SMILES |
CCNC(=O)c1ccc(cn1)-c1cccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)c1
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| InChI |
InChI=1S/C28H36N4O3/c1-2-29-26(34)25-12-11-22(17-30-25)21-8-6-7-20(15-21)18-31-19-24(33)16-28(31)13-14-32(27(28)35)23-9-4-3-5-10-23/h6-8,11-12,15,17,23-24,33H,2-5,9-10,13-14,16,18-19H2,1H3,(H,29,34)/t24-,28+/m1/s1
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| InChIKey |
GJEOQOFMQRUKFW-YWEHKCAJSA-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