General Information of the Compound
| Compound ID |
CP0427790
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| Compound Name |
N-[2-[1-(4-bromophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-5-fluoro-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H25BrFN5O2
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| Molecular Weight |
514.399
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| Canonical SMILES |
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C24H25BrFN5O2/c25-17-1-4-19(5-2-17)31-15-28-23(33)24(31)7-10-30(11-8-24)12-9-27-22(32)21-14-16-13-18(26)3-6-20(16)29-21/h1-6,13-14,29H,7-12,15H2,(H,27,32)(H,28,33)
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| InChIKey |
JDLUSVQXUAJZDS-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