General Information of the Compound
| Compound ID |
CP0522227
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| Compound Name |
US9314468, Table 7, Compound 119
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| Structure |
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| Formula |
C32H41N5O
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| Molecular Weight |
511.714
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C32H41N5O/c33-16-3-4-19-36(30-11-5-7-25-8-6-17-35-31(25)30)23-28-32-27(12-18-34-28)26-9-1-2-10-29(26)37(32)20-13-24-14-21-38-22-15-24/h1-2,6,8-10,12,17-18,24,30H,3-5,7,11,13-16,19-23,33H2/t30-/m0/s1
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| InChIKey |
LZTDOUVCVHNFEM-PMERELPUSA-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