General Information of the Compound
| Compound ID |
CP0468222
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| Compound Name |
US8912224, 90
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| Structure |
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| Formula |
C25H24N4O3S
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| Molecular Weight |
460.559
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| Canonical SMILES |
O=C(CCn1cccn1)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H24N4O3S/c30-24(11-14-29-13-4-12-28-29)26-16-21-17-27-25(33-21)31-20-8-10-23-19(15-20)7-9-22(32-23)18-5-2-1-3-6-18/h1-6,8,10,12-13,15,17,22H,7,9,11,14,16H2,(H,26,30)
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| InChIKey |
GXDUNLGYVWAPJO-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