General Information of the Compound
| Compound ID |
CP0771297
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| Compound Name |
SID17387367
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| Structure |
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| Formula |
C25H28N8O3
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| Molecular Weight |
488.552
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| Canonical SMILES |
COc1cc(/C=N/Nc2nc(Nc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C25H28N8O3/c1-15-7-9-19(10-8-15)27-23-28-24(30-25(29-23)33-17(3)11-16(2)32-33)31-26-14-18-12-20(34-4)22(36-6)21(13-18)35-5/h7-14H,1-6H3,(H2,27,28,29,30,31)/b26-14+
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| InChIKey |
CJKCFLYRDSJZME-VULFUBBASA-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: PT06124, Paired box protein Pax-8