General Information of the Compound
| Compound ID |
CP0574844
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| Compound Name |
US10047103, 173
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| Structure |
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| Formula |
C30H34N6O8S2
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| Molecular Weight |
670.77
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)NC(=O)CNC(=O)OC(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H34N6O8S2/c1-29(2,3)44-27(38)31-13-24(37)34-30(6-8-41-9-7-30)25-32-17(16-45-25)15-42-21-10-18(39-4)11-22-19(21)12-23(43-22)20-14-36-26(33-20)46-28(35-36)40-5/h10-12,14,16H,6-9,13,15H2,1-5H3,(H,31,38)(H,34,37)
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| InChIKey |
YCTLZIZSUPGRJL-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