General Information of the Compound
| Compound ID |
CP0485806
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| Compound Name |
CHEMBL391699
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| Formula |
C25H32F3N3O3S
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| Molecular Weight |
511.61
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| Canonical SMILES |
FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1
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| InChI |
InChI=1S/C25H32F3N3O3S/c26-25(27,28)20-3-1-4-23(17-20)34-22-11-15-31(16-12-22)14-10-19-6-8-21(9-7-19)30-35(32,33)24-5-2-13-29-18-24/h1-5,13,17-19,21-22,30H,6-12,14-16H2/t19-,21-
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| InChIKey |
YPTJILAMYFGVSH-XUTJKUGGSA-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