General Information of the Compound
| Compound ID |
CP0881645
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| Compound Name |
SID121284958
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| Structure |
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| Formula |
C25H29N7O3S
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| Molecular Weight |
507.62
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| Canonical SMILES |
CSCCC(c1nnnn1-c1ccc2c(c1)OCCO2)N1CCC(n2c(O)nc3ccccc32)CC1
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| InChI |
InChI=1S/C25H29N7O3S/c1-36-15-10-21(24-27-28-29-32(24)18-6-7-22-23(16-18)35-14-13-34-22)30-11-8-17(9-12-30)31-20-5-3-2-4-19(20)26-25(31)33/h2-7,16-17,21H,8-15H2,1H3,(H,26,33)
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| InChIKey |
ORUXVPGCSZCDTB-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