General Information of the Compound
| Compound ID |
CP0407157
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| Compound Name |
US10047103, 101
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| Structure |
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| Formula |
C29H25N7O6S3
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| Molecular Weight |
663.763
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(CC3)S(=O)(=O)c3ccc(cc3)C#N)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N7O6S3/c1-39-20-11-24(22-13-26(42-25(22)12-20)23-15-36-28(32-23)44-29(33-36)40-2)41-16-19-17-43-27(31-19)34-7-9-35(10-8-34)45(37,38)21-5-3-18(14-30)4-6-21/h3-6,11-13,15,17H,7-10,16H2,1-2H3
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| InChIKey |
GWAHHWYTRMGILF-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