General Information of the Compound
| Compound ID |
CP0474348
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| Compound Name |
US10047103, 161
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| Structure |
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| Formula |
C32H31N5O6S2
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| Molecular Weight |
645.763
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C32H31N5O6S2/c1-36(2)28(38)19-5-7-20(8-6-19)32(9-11-41-12-10-32)29-33-21(18-44-29)17-42-25-13-22(39-3)14-26-23(25)15-27(43-26)24-16-37-30(34-24)45-31(35-37)40-4/h5-8,13-16,18H,9-12,17H2,1-4H3
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| InChIKey |
CXZHQWBVEDJXCG-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