General Information of the Compound
| Compound ID |
CP0862956
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| Compound Name |
SID121284982
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| Structure |
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| Formula |
C29H31N7O3
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| Molecular Weight |
525.613
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| Canonical SMILES |
COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCC(n3c(O)nc4ccccc43)CC2)c1OC
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| InChI |
InChI=1S/C29H31N7O3/c1-38-25-14-8-11-22(27(25)39-2)26(28-31-32-33-35(28)19-20-9-4-3-5-10-20)34-17-15-21(16-18-34)36-24-13-7-6-12-23(24)30-29(36)37/h3-14,21,26H,15-19H2,1-2H3,(H,30,37)
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| InChIKey |
PJJHTURFSAPGHM-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