General Information of the Compound
| Compound ID |
CP0562744
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| Compound Name |
US8912224, 158
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| Structure |
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| Formula |
C25H22N4O2S2
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| Molecular Weight |
474.611
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| Canonical SMILES |
C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1cn2ccsc2n1
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| InChI |
InChI=1S/C25H22N4O2S2/c1-2-4-17(5-3-1)22-8-6-18-12-20(7-9-23(18)31-22)30-25-27-15-21(33-25)14-26-13-19-16-29-10-11-32-24(29)28-19/h1-5,7,9-12,15-16,22,26H,6,8,13-14H2
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| InChIKey |
QLTUVTUTXUMXQZ-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