General Information of the Compound
| Compound ID |
CP0667234
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| Compound Name |
SID87334911
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| Structure |
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| Formula |
C22H19BrN2O4
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| Molecular Weight |
455.308
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| Canonical SMILES |
COc1ccc(O)c(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1
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| InChI |
InChI=1S/C22H19BrN2O4/c1-28-20-9-10-21(26)17(12-20)13-24-25-22(27)16-5-7-19(8-6-16)29-14-15-3-2-4-18(23)11-15/h2-13,26H,14H2,1H3,(H,25,27)/b24-13+
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| InChIKey |
NMBZWZAYUOJWRS-ZMOGYAJESA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1