General Information of the Compound
| Compound ID |
CP0940737
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| Compound Name |
SID144192299
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| Structure |
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| Formula |
C25H26N2O4S
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| Molecular Weight |
450.56
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| Canonical SMILES |
O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H](CO)N12
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| InChI |
InChI=1S/C25H26N2O4S/c28-16-23-25(21-12-10-19(11-13-21)9-8-18-6-7-18)22-14-26(15-24(29)27(22)23)32(30,31)17-20-4-2-1-3-5-20/h1-5,10-13,18,22-23,25,28H,6-7,14-17H2/t22-,23-,25-/m1/s1
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| InChIKey |
VXYAODIOTCROOI-VDKIKQQVSA-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