General Information of the Compound
| Compound ID |
CP0966629
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| Compound Name |
SID131460370
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| Structure |
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| Formula |
C25H22FN3O3S
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| Molecular Weight |
463.534
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| Canonical SMILES |
N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1
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| InChI |
InChI=1S/C25H22FN3O3S/c26-19-5-7-20(8-6-19)33(31,32)29-11-10-21-24(15-30)28-23-9-4-18(13-22(23)25(21)29)17-3-1-2-16(12-17)14-27/h1-9,12-13,21,24-25,28,30H,10-11,15H2/t21-,24+,25-/m0/s1
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| InChIKey |
WTDKFZXRKKYFSG-GPUOULLFSA-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