General Information of the Compound
| Compound ID |
CP0424927
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| Compound Name |
4-amino-3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
COc1cc(ccc1N)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C23H29N5O3/c1-31-20-15-17(7-8-19(20)24)21(29)25-11-14-27-12-9-23(10-13-27)22(30)26-16-28(23)18-5-3-2-4-6-18/h2-8,15H,9-14,16,24H2,1H3,(H,25,29)(H,26,30)
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| InChIKey |
PHTMXPVDOTYOPK-UHFFFAOYSA-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