General Information of the Compound
| Compound ID |
CP0869059
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| Compound Name |
SID121284987
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
CCC(c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1
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| InChI |
InChI=1S/C23H27N7O/c1-2-20(22-25-26-27-29(22)16-17-8-4-3-5-9-17)28-14-12-18(13-15-28)30-21-11-7-6-10-19(21)24-23(30)31/h3-11,18,20H,2,12-16H2,1H3,(H,24,31)
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| InChIKey |
AXAPZZJDJVLKTO-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