General Information of the Compound
| Compound ID |
CP0561110
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| Compound Name |
US8822510, 11
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| Structure |
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3=O)c3ccccc3)n2)C1
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| InChI |
InChI=1S/C28H31N3O4/c32-24-9-4-5-15-28(24,23-7-2-1-3-8-23)16-6-10-25-29-26(30-35-25)21-13-11-20(12-14-21)17-31-18-22(19-31)27(33)34/h1-3,7-8,11-14,22H,4-6,9-10,15-19H2,(H,33,34)
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| InChIKey |
DCTNVPWTYWEZEV-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