General Information of the Compound
| Compound ID |
CP0573724
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| Compound Name |
US9518064, Example 94
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| Structure |
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| Formula |
C27H25N3O4S
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| Molecular Weight |
487.581
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C3=CCCCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H25N3O4S/c1-31-20-12-23(33-16-17-7-6-10-19(11-17)18-8-4-3-5-9-18)21-14-25(34-24(21)13-20)22-15-30-26(28-22)35-27(29-30)32-2/h6-8,10-15H,3-5,9,16H2,1-2H3
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| InChIKey |
SDWWUTMASIQJMR-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