General Information of the Compound
| Compound ID |
CP0421276
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| Compound Name |
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-3-phenylprop-2-ynamide
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C26H28FN3O2/c1-19(29-24(31)12-7-20-5-3-2-4-6-20)18-30-15-13-26(14-16-30)23(17-28-25(26)32)21-8-10-22(27)11-9-21/h2-6,8-11,19,23H,13-18H2,1H3,(H,28,32)(H,29,31)/t19-,23-/m0/s1
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| InChIKey |
SFJGIYVIEAZRDO-CVDCTZTESA-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2