General Information of the Compound
| Compound ID |
CP0782145
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| Compound Name |
SID24780125
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| Structure |
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| Formula |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
Cc1cc(C)nc(N=C(N)Nc2ccc(OCc3ccccc3)cc2)n1
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| InChI |
InChI=1S/C20H21N5O/c1-14-12-15(2)23-20(22-14)25-19(21)24-17-8-10-18(11-9-17)26-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H3,21,22,23,24,25)
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| InChIKey |
UZZHGEWFVOTYDT-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