General Information of the Compound
| Compound ID |
CP0424925
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| Compound Name |
N-[(1S)-2-(4-keto-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-ethyl]-2-naphthamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H30N4O2/c1-20(29-25(32)23-12-11-21-7-5-6-8-22(21)17-23)18-30-15-13-27(14-16-30)26(33)28-19-31(27)24-9-3-2-4-10-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1
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| InChIKey |
KBMPJZSFOFZBQM-FQEVSTJZSA-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