General Information of the Compound
| Compound ID |
CP0946013
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| Compound Name |
SID131447010
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| Structure |
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| Formula |
C25H26N2O3S
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| Molecular Weight |
434.561
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| Canonical SMILES |
N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H26N2O3S/c26-17-23-25(24(18-28)27(23)31(29,30)22-9-5-2-6-10-22)21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h2,5-6,9-10,13-16,19,23-25,28H,1,3-4,7-8,18H2/t23-,24+,25+/m0/s1
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| InChIKey |
SWJDWUQGBZQPQB-ISJGIBHGSA-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