General Information of the Compound
| Compound ID |
CP0918164
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| Compound Name |
SID121284980
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| Structure |
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| Formula |
C27H27N7O2
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| Molecular Weight |
481.56
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(c2ccccc2)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
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| InChI |
InChI=1S/C27H27N7O2/c1-36-22-13-11-21(12-14-22)34-26(29-30-31-34)25(19-7-3-2-4-8-19)32-17-15-20(16-18-32)33-24-10-6-5-9-23(24)28-27(33)35/h2-14,20,25H,15-18H2,1H3,(H,28,35)
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| InChIKey |
PUKMXKCRIWGTQZ-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