General Information of the Compound
| Compound ID |
CP0862823
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| Compound Name |
SID121286317
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| Structure |
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| Formula |
C32H22N4O4
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| Molecular Weight |
526.552
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| Canonical SMILES |
O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)C1N(C(=O)c1ccnc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C32H22N4O4/c37-31-30(29(34-25-12-6-7-13-26(25)35-31)20-14-15-27-28(18-20)40-19-39-27)36(21-8-2-1-3-9-21)32(38)23-16-17-33-24-11-5-4-10-22(23)24/h1-18,30H,19H2,(H,35,37)
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| InChIKey |
FYOCGEMWJBNGSE-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