General Information of the Compound
| Compound ID |
CP0794099
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| Compound Name |
SID14720692
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| Structure |
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| Formula |
C24H19N5O2
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| Molecular Weight |
409.449
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| Canonical SMILES |
Nc1ccc(C(=O)N/N=C\c2cc(N=Nc3cccc4ccccc34)ccc2O)cc1
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| InChI |
InChI=1S/C24H19N5O2/c25-19-10-8-17(9-11-19)24(31)29-26-15-18-14-20(12-13-23(18)30)27-28-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,30H,25H2,(H,29,31)/b26-15-,28-27?
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| InChIKey |
DQKGBPUXEVJYAB-NRIVQEBSSA-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