General Information of the Compound
| Compound ID |
CP0935307
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| Compound Name |
SID121284971
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| Structure |
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| Formula |
C29H31N7O2
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| Molecular Weight |
509.614
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(CCc2ccccc2)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
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| InChI |
InChI=1S/C29H31N7O2/c1-38-24-14-12-23(13-15-24)36-28(31-32-33-36)27(16-11-21-7-3-2-4-8-21)34-19-17-22(18-20-34)35-26-10-6-5-9-25(26)30-29(35)37/h2-10,12-15,22,27H,11,16-20H2,1H3,(H,30,37)
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| InChIKey |
DZPCLMYRRDKKSW-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