General Information of the Compound
| Compound ID |
CP0818746
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| Compound Name |
SID49820189
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| Formula |
C26H27N3O5
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| Molecular Weight |
461.518
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| Canonical SMILES |
COc1cc(-c2[nH]c(C(=O)NCC3CCCO3)cc3c4ccccc4nc2-3)cc(OC)c1OC
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| InChI |
InChI=1S/C26H27N3O5/c1-31-21-11-15(12-22(32-2)25(21)33-3)23-24-18(17-8-4-5-9-19(17)28-24)13-20(29-23)26(30)27-14-16-7-6-10-34-16/h4-5,8-9,11-13,16,29H,6-7,10,14H2,1-3H3,(H,27,30)
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| InChIKey |
UJTKFAJRHSQRMS-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: PT06101, Latent membrane protein 1