General Information of the Compound
| Compound ID |
CP0912886
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| Compound Name |
SID49716858
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| Formula |
C20H23BrN6OS
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| Molecular Weight |
475.416
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| Canonical SMILES |
Cc1nnc2nc(SCC(=O)NC3CCCCC3)n(-c3ccc(Br)cc3)c(N)c1-2
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| InChI |
InChI=1S/C20H23BrN6OS/c1-12-17-18(22)27(15-9-7-13(21)8-10-15)20(24-19(17)26-25-12)29-11-16(28)23-14-5-3-2-4-6-14/h7-10,14H,2-6,11,22H2,1H3,(H,23,28)
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| InChIKey |
VMALHFHYTAXBHO-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8