General Information of the Compound
| Compound ID |
CP0768554
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| Compound Name |
SID17517261
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| Structure |
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| Formula |
C24H26N4O5S
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| Molecular Weight |
482.562
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| Canonical SMILES |
Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(c4ccc(O)cc4)CC3)c([N+](=O)[O-])c2)c(C)c1
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| InChI |
InChI=1S/C24H26N4O5S/c1-17-3-9-22(18(2)15-17)25-34(32,33)21-8-10-23(24(16-21)28(30)31)27-13-11-26(12-14-27)19-4-6-20(29)7-5-19/h3-10,15-16,25,29H,11-14H2,1-2H3
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| InChIKey |
GNISZGAEAVTSTA-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: PT06172, Mothers against decapentaplegic homolog 3