General Information of the Compound
| Compound ID |
CP0906102
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| Compound Name |
SID99360807
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| Structure |
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| Formula |
C18H22N4O8S
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| Molecular Weight |
454.461
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| Canonical SMILES |
CN(C)CCOc1ccc2c(c1)C(=O)C(=Cc1ncc([N+](=O)[O-])n1C)C2.O=S(=O)(O)O
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| InChI |
InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-5-4-12-8-13(18(23)15(12)10-14)9-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)
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| InChIKey |
QCDIRNSCHKOUIQ-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8