General Information of the Compound
| Compound ID |
CP0546664
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| Compound Name |
US8912224, 259
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| Structure |
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| Formula |
C23H23N3O4S
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| Molecular Weight |
437.521
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| Canonical SMILES |
OC[C@@H]1CCCN1C(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C23H23N3O4S/c27-14-17-4-2-10-26(17)22(28)21-13-25-23(31-21)29-18-6-8-19-15(11-18)5-7-20(30-19)16-3-1-9-24-12-16/h1,3,6,8-9,11-13,17,20,27H,2,4-5,7,10,14H2/t17-,20?/m0/s1
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| InChIKey |
FCKOOKROHAVTAI-DIMJTDRSSA-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