General Information of the Compound
| Compound ID |
CP0399495
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| Compound Name |
US9193736, 36
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| Structure |
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| Formula |
C29H26N6O4S
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| Molecular Weight |
554.632
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| Canonical SMILES |
CC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
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| InChI |
InChI=1S/C29H26N6O4S/c1-20(36)33-40(37,38)24-11-7-22(8-12-24)28-26(13-10-23-9-6-21-4-2-3-5-25(21)31-23)32-29-27(14-15-30-35(28)29)34-16-18-39-19-17-34/h2-15H,16-19H2,1H3,(H,33,36)/b13-10+
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| InChIKey |
WPTQKPUQBUPAFC-JLHYYAGUSA-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