General Information of the Compound
| Compound ID |
CP0553365
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| Compound Name |
US8912224, 41
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| Structure |
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| Formula |
C27H22N4O3S
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| Molecular Weight |
482.565
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| Canonical SMILES |
O=C(NCc1cn2ccccc2n1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H22N4O3S/c32-26(28-15-20-17-31-13-5-4-8-25(31)30-20)24-16-29-27(35-24)33-21-10-12-23-19(14-21)9-11-22(34-23)18-6-2-1-3-7-18/h1-8,10,12-14,16-17,22H,9,11,15H2,(H,28,32)
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| InChIKey |
WZHJSAYORBMKEX-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