General Information of the Compound
| Compound ID |
CP0574028
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| Compound Name |
US9314468, Table 7, Compound 87
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H33N5O/c28-13-3-4-16-31(25-11-5-7-20-8-6-14-30-26(20)25)19-23-27-22(12-15-29-23)21-9-1-2-10-24(21)32(27)17-18-33/h1-2,6,8-10,12,14-15,25,33H,3-5,7,11,13,16-19,28H2/t25-/m0/s1
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| InChIKey |
YPUCQUYXFQEHNX-VWLOTQADSA-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