General Information of the Compound
| Compound ID |
CP0515106
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| Compound Name |
US8912224, 58
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| Structure |
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| Formula |
C22H18N4O4S
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| Molecular Weight |
434.477
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| Canonical SMILES |
O=C(NCc1ccno1)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C22H18N4O4S/c27-21(24-12-17-7-9-26-30-17)20-13-25-22(31-20)28-16-4-6-18-14(10-16)3-5-19(29-18)15-2-1-8-23-11-15/h1-2,4,6-11,13,19H,3,5,12H2,(H,24,27)
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| InChIKey |
MWNLSPFRYZOYBO-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