General Information of the Compound
| Compound ID |
CP0919667
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| Compound Name |
SID121286288
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| Structure |
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| Formula |
C30H23N3O4
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| Molecular Weight |
489.531
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| Canonical SMILES |
O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)C1N(C(=O)c1ccc2ccccc2c1)C1CC1
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| InChI |
InChI=1S/C30H23N3O4/c34-29-28(33(22-12-13-22)30(35)21-10-9-18-5-1-2-6-19(18)15-21)27(31-23-7-3-4-8-24(23)32-29)20-11-14-25-26(16-20)37-17-36-25/h1-11,14-16,22,28H,12-13,17H2,(H,32,34)
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| InChIKey |
UHFKRWQHMZXRNL-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