General Information of the Compound
| Compound ID |
CP0575128
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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]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C28H30FN3O2
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| Molecular Weight |
459.565
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C28H30FN3O2/c1-19(31-26(33)23-7-6-20-4-2-3-5-22(20)16-23)18-32-14-12-28(13-15-32)25(17-30-27(28)34)21-8-10-24(29)11-9-21/h2-11,16,19,25H,12-15,17-18H2,1H3,(H,30,34)(H,31,33)/t19-,25-/m0/s1
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| InChIKey |
LMGGKAGUODAECN-DFBJGRDBSA-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