General Information of the Compound
| Compound ID |
CP0873847
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| Compound Name |
SID92763435
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| Structure |
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| Formula |
C29H49N7O5
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| Molecular Weight |
575.755
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| Canonical SMILES |
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2[nH]cnc3ncnc2-3)C(O)C1O
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| InChI |
InChI=1S/C29H49N7O5/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(37)30-16-22(38)35-23-20(3)41-29(26(40)25(23)39)36-28-24-27(32-17-31-24)33-18-34-28/h17-20,23,25-26,29,39-40H,4-16H2,1-3H3,(H,30,37)(H,35,38)(H2,31,32,33,34,36)
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| InChIKey |
VCEWFFSOGKSWLL-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
Protein ID: PT06124, Paired box protein Pax-8