General Information of the Compound
| Compound ID |
CP0828846
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| Compound Name |
SID89856098
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| Structure |
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| Formula |
C26H24BrClN6O5S2
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| Molecular Weight |
680.006
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| Canonical SMILES |
Br.O=[N+]([O-])c1ccc(N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C26H23ClN6O5S2.BrH/c27-19-6-8-20(9-7-19)31-40(36,37)24-16-21(33(34)35)10-11-22(24)30-28-17-23-25(18-4-2-1-3-5-18)29-26(39-23)32-12-14-38-15-13-32;/h1-11,16-17,30-31H,12-15H2;1H/b28-17+;
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| InChIKey |
DQWPIKAAAUHCSN-HYEBSWNJSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8