General Information of the Compound
| Compound ID |
CP0724867
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| Compound Name |
SID49733384
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| Structure |
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| Formula |
C23H22N4O5
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| Molecular Weight |
434.452
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| Canonical SMILES |
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1
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| InChI |
InChI=1S/C23H22N4O5/c1-16-4-2-3-5-19(16)23(29)26-14-12-25(13-15-26)18-8-6-17(7-9-18)24-22(28)20-10-11-21(32-20)27(30)31/h2-11H,12-15H2,1H3,(H,24,28)
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| InChIKey |
PVEQWSPNCJEJJK-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3