General Information of the Compound
| Compound ID |
CP0394242
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| Compound Name |
indole derivative, 5t
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| Structure |
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| Formula |
C29H27N3O5S2
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| Molecular Weight |
561.685
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| Canonical SMILES |
CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(s1)-c1ccon1
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| InChI |
InChI=1S/C29H27N3O5S2/c1-29(2,3)37-28(33)32-24-7-5-4-6-19(24)17-25(32)20-9-8-18-15-22(16-21(18)14-20)31-39(34,35)27-11-10-26(38-27)23-12-13-36-30-23/h4-14,17,22,31H,15-16H2,1-3H3
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| InChIKey |
AOVLEUVYXSWIDO-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