General Information of the Compound
| Compound ID |
CP0675150
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| Compound Name |
SID24779760
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| Structure |
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| Formula |
C32H40N2O6
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| Molecular Weight |
548.68
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| Canonical SMILES |
O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
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| InChI |
InChI=1S/C32H40N2O6/c35-20-23-6-8-24(9-7-23)21-37-31-18-27(26-4-2-1-3-5-26)17-30(40-31)32(36)34-14-12-33(13-15-34)19-25-10-11-28-29(16-25)39-22-38-28/h6-11,16-17,26-27,31,35H,1-5,12-15,18-22H2/t27-,31+/m1/s1
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| InChIKey |
PWLGCENYRZNTDP-JOMNFKBKSA-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