General Information of the Compound
| Compound ID |
CP0523742
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| Compound Name |
CHEMBL240271
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| Formula |
C30H37F3N4O2S
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| Molecular Weight |
574.713
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| Canonical SMILES |
FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(cc3)-n3cccn3)CC2)c1
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| InChI |
InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-4-1-3-25(22-26)21-24-14-19-36(20-15-24)18-13-23-5-7-27(8-6-23)35-40(38,39)29-11-9-28(10-12-29)37-17-2-16-34-37/h1-4,9-12,16-17,22-24,27,35H,5-8,13-15,18-21H2/t23-,27-
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| InChIKey |
UYHCIKJLSMEARZ-JIBACQESSA-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