General Information of the Compound
| Compound ID |
CP0537444
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| Compound Name |
US9493474, 8A
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| Structure |
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| Formula |
C24H25N3O5S
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| Molecular Weight |
467.547
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC12)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H25N3O5S/c1-15-19(6-7-20-21(15)14-32-24(20)29)23(28)13-26-9-8-17-11-27(12-22(17)26)33(30,31)18-4-2-16(10-25)3-5-18/h2-7,17,22-23,28H,8-9,11-14H2,1H3/t17?,22?,23-/m0/s1
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| InChIKey |
IHYVNCXXQXINLY-KGBGCIRMSA-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