General Information of the Compound
| Compound ID |
CP0421275
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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]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C26H29FN4O2
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| Molecular Weight |
448.542
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C26H29FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,14,17,21,30H,10-13,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-/m0/s1
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| InChIKey |
CUBHHKRMIJNNFB-UWJYYQICSA-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