General Information of the Compound
| Compound ID |
CP0462804
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| Compound Name |
US10047103, 283
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| Structure |
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| Formula |
C27H23N5O4S
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| Molecular Weight |
513.579
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| Canonical SMILES |
COc1cccc(Nc2nc(COc3cc(OC)cc4oc(cc34)-c3cn4nc(C)ccc4n3)cs2)c1
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| InChI |
InChI=1S/C27H23N5O4S/c1-16-7-8-26-30-22(13-32(26)31-16)25-12-21-23(10-20(34-3)11-24(21)36-25)35-14-18-15-37-27(29-18)28-17-5-4-6-19(9-17)33-2/h4-13,15H,14H2,1-3H3,(H,28,29)
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| InChIKey |
OUPYWPKDWRDDDU-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