General Information of the Compound
| Compound ID |
CP0858621
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| Compound Name |
SID121284991
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| Structure |
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| Formula |
C24H29N7OS
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| Molecular Weight |
463.611
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| Canonical SMILES |
CSCCC(c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1
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| InChI |
InChI=1S/C24H29N7OS/c1-33-16-13-22(23-26-27-28-30(23)17-18-7-3-2-4-8-18)29-14-11-19(12-15-29)31-21-10-6-5-9-20(21)25-24(31)32/h2-10,19,22H,11-17H2,1H3,(H,25,32)
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| InChIKey |
KDYCPGMUHGUAKJ-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