General Information of the Compound
| Compound ID |
CP0757295
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| Compound Name |
SID17505136
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| Structure |
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| Formula |
C21H15BrN2O5
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| Molecular Weight |
455.264
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| Canonical SMILES |
O=C(/C=C/c1ccco1)Oc1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1
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| InChI |
InChI=1S/C21H15BrN2O5/c22-15-10-14(13-23-24-21(27)18-5-1-2-6-19(18)25)11-17(12-15)29-20(26)8-7-16-4-3-9-28-16/h1-13,25H,(H,24,27)/b8-7+,23-13+
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| InChIKey |
GUJZNUYORLJTAE-MOTGWWFASA-N
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| CAS |
4992-12-5
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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