General Information of the Compound
| Compound ID |
CP0313002
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| Compound Name |
CHEMBL2012627
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| Formula |
C24H24FN3O3S
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| Molecular Weight |
453.539
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1
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| InChI |
InChI=1S/C24H24FN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17-
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| InChIKey |
RYFDRGQHYHFAMS-QAQDUYKDSA-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: PT02536, Diacylglycerol O-acyltransferase 1