General Information of the Compound
| Compound ID |
CP0852863
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| Compound Name |
SID14747000
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| Structure |
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| Formula |
C16H17N3O5S
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| Molecular Weight |
363.395
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| Canonical SMILES |
Cc1nc(NCc2ccco2)c2c(C)c(C)sc2n1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C14H15N3OS.C2H2O4/c1-8-9(2)19-14-12(8)13(16-10(3)17-14)15-7-11-5-4-6-18-11;3-1(4)2(5)6/h4-6H,7H2,1-3H3,(H,15,16,17);(H,3,4)(H,5,6)
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| InChIKey |
JFRTWLZZIICYSR-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