General Information of the Compound
| Compound ID |
CP0441520
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| Compound Name |
US10047103, 95
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| Structure |
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| Formula |
C24H24N4O5S2
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| Molecular Weight |
512.613
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)C3CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H24N4O5S2/c1-13-18(25-22(34-13)14-4-6-31-7-5-14)12-32-19-8-15(29-2)9-20-16(19)10-21(33-20)17-11-28-23(26-17)35-24(27-28)30-3/h8-11,14H,4-7,12H2,1-3H3
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| InChIKey |
MYJLPJGPNYYZOV-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