General Information of the Compound
| Compound ID |
CP0520319
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| Compound Name |
US8912224, 268
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| Structure |
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| Formula |
C23H22N4O3S
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| Molecular Weight |
434.521
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| Canonical SMILES |
O=C(NC1C2CNCC12)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C23H22N4O3S/c28-22(27-21-16-10-25-11-17(16)21)20-12-26-23(31-20)29-15-4-6-18-13(8-15)3-5-19(30-18)14-2-1-7-24-9-14/h1-2,4,6-9,12,16-17,19,21,25H,3,5,10-11H2,(H,27,28)
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| InChIKey |
QUDADUNQTFOUAW-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