General Information of the Compound
| Compound ID |
CP0928399
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| Compound Name |
SID46501024
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
O=C(NCCc1c[nH]c2ccccc12)OCCCCOC(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H30N4O4/c31-25(27-13-11-19-17-29-23-9-3-1-7-21(19)23)33-15-5-6-16-34-26(32)28-14-12-20-18-30-24-10-4-2-8-22(20)24/h1-4,7-10,17-18,29-30H,5-6,11-16H2,(H,27,31)(H,28,32)
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| InChIKey |
BMHXXWZSCSVBRU-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