General Information of the Compound
| Compound ID |
CP0883350
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| Compound Name |
SID49675188
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1
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| InChI |
InChI=1S/C26H30N2O2/c1-19(20-10-11-22-17-24(30-3)13-12-21(22)16-20)26(29)27(2)18-23-8-4-5-9-25(23)28-14-6-7-15-28/h4-5,8-13,16-17,19H,6-7,14-15,18H2,1-3H3/t19-/m0/s1
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| InChIKey |
LUWRTWOCCASGHW-IBGZPJMESA-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