General Information of the Compound
| Compound ID |
CP0545173
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| Compound Name |
US10047103, 93
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| Structure |
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| Formula |
C25H25N5O5S2
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| Molecular Weight |
539.639
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CC4CCC(C3)O4)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H25N5O5S2/c1-13-19(27-23(36-13)29-9-14-4-5-15(10-29)34-14)12-33-20-6-16(31-2)7-21-17(20)8-22(35-21)18-11-30-24(26-18)37-25(28-30)32-3/h6-8,11,14-15H,4-5,9-10,12H2,1-3H3
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| InChIKey |
YDLUCTVUUDEGBX-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