General Information of the Compound
| Compound ID |
CP0950780
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| Compound Name |
SID131446864
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| Structure |
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| Formula |
C22H21FN2O3S
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| Molecular Weight |
412.486
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| Canonical SMILES |
CCCC#Cc1ccc([C@@H]2[C@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@H]2CO)cc1
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| InChI |
InChI=1S/C22H21FN2O3S/c1-2-3-4-6-16-9-11-17(12-10-16)22-20(14-24)25(21(22)15-26)29(27,28)19-8-5-7-18(23)13-19/h5,7-13,20-22,26H,2-3,15H2,1H3/t20-,21-,22+/m0/s1
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| InChIKey |
ROAIBYPNVKCDRA-FDFHNCONSA-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