General Information of the Compound
| Compound ID |
CP0935346
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| Compound Name |
US9314468, Table 7, Compound 81
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
O=C(CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21)N1CCNCC1
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| InChI |
InChI=1S/C27H30N6O/c34-25(32-15-13-28-14-16-32)18-33(24-9-3-5-19-6-4-11-30-26(19)24)17-23-27-21(10-12-29-23)20-7-1-2-8-22(20)31-27/h1-2,4,6-8,10-12,24,28,31H,3,5,9,13-18H2/t24-/m0/s1
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| InChIKey |
PLMKSGNBDHUHML-DEOSSOPVSA-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