General Information of the Compound
| Compound ID |
CP0554519
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| Compound Name |
US10047103, 245
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| Structure |
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| Formula |
C26H22N6O3S
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| Molecular Weight |
498.568
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| Canonical SMILES |
COc1cc(OCc2csc(NCc3cccnc3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H22N6O3S/c1-16-5-6-25-30-21(13-32(25)31-16)24-10-20-22(8-19(33-2)9-23(20)35-24)34-14-18-15-36-26(29-18)28-12-17-4-3-7-27-11-17/h3-11,13,15H,12,14H2,1-2H3,(H,28,29)
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| InChIKey |
FAUDEBIRPOJXFT-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