General Information of the Compound
| Compound ID |
CP0416343
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| Compound Name |
US10047103, 113
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| Structure |
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| Formula |
C29H27N5O6S3
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| Molecular Weight |
637.765
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCN(CC3)S(=O)(=O)c3ccccc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H27N5O6S3/c1-37-20-12-24(22-14-26(40-25(22)13-20)23-15-34-28(31-23)42-29(32-34)38-2)39-16-19-17-41-27(30-19)18-8-10-33(11-9-18)43(35,36)21-6-4-3-5-7-21/h3-7,12-15,17-18H,8-11,16H2,1-2H3
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| InChIKey |
HZZNYBLWSTVSCP-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