General Information of the Compound
| Compound ID |
CP0461590
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| Compound Name |
US8912224, 16
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| Structure |
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| Formula |
C26H23N3O3S
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| Molecular Weight |
457.555
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| Canonical SMILES |
O=C(Cc1cccnc1)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H23N3O3S/c30-25(13-18-5-4-12-27-15-18)28-16-22-17-29-26(33-22)31-21-9-11-24-20(14-21)8-10-23(32-24)19-6-2-1-3-7-19/h1-7,9,11-12,14-15,17,23H,8,10,13,16H2,(H,28,30)
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| InChIKey |
LKKNDLYJNNTSLI-UHFFFAOYSA-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