General Information of the Compound
| Compound ID |
CP0950310
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| Compound Name |
SID49734954
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| Structure |
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| Formula |
C22H28FN3O2S
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| Molecular Weight |
417.55
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| Canonical SMILES |
O=S(=O)(NC1CCCCC1N1CCN(c2ccccc2F)CC1)c1ccccc1
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| InChI |
InChI=1S/C22H28FN3O2S/c23-19-10-4-6-12-21(19)25-14-16-26(17-15-25)22-13-7-5-11-20(22)24-29(27,28)18-8-2-1-3-9-18/h1-4,6,8-10,12,20,22,24H,5,7,11,13-17H2
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| InChIKey |
DOPYBUKPRYMXNB-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