General Information of the Compound
| Compound ID |
CP0544763
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| Compound Name |
US8637502, 80
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| Structure |
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| Formula |
C29H34N4O3
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| Molecular Weight |
486.616
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| Canonical SMILES |
O=C(NCc1ccccc1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O
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| InChI |
InChI=1S/C29H34N4O3/c34-27(30-19-21-11-5-4-6-12-21)23-20-32(22-13-7-2-1-3-8-14-22)18-17-25(23)33-26-16-10-9-15-24(26)31-28(35)29(33)36/h4-6,9-12,15-16,22H,1-3,7-8,13-14,17-20H2,(H,30,34)(H,31,35)
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| InChIKey |
DIJLEUMMARGYAS-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