General Information of the Compound
| Compound ID |
CP0846123
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| Compound Name |
SID49669711
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| Structure |
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| Formula |
C22H28ClN3O4S
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| Molecular Weight |
466.003
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| Canonical SMILES |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1[S+]2[O-].Cl
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| InChI |
InChI=1S/C22H27N3O4S.ClH/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)30(28)20-12-11-16(15-18(20)25)23-22(27)29-6-3;/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27);1H
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| InChIKey |
FUVPJPVUTNZEIF-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